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Methyl-(1-methyl-2-phenyl-ethyl)-amine

ID: ALA1927030

Cas Number: 33817-09-3

PubChem CID: 36604

Max Phase: Phase

Molecular Formula: C10H15N

Molecular Weight: 149.24

Molecule Type: Small molecule

This compound is available for customization.

Associated Items:

Names and Identifiers

Synonyms: L-desoxyephedrine | L-methamphetamine | Levmetamfetamine cii | Levomethamphetamine | Levmetamfetamine|L-Methamphetamine|33817-09-3|l-Methylamphetamine|levomethamphetamine|(-)-Methamphetamine|(-)-Deoxyephedrine|R(-)-N-Methylamphetamine|l-1-Phenyl-2-methylaminopropane|Vicks|Levmetamfetamine cii|NSC 6084|l-1-Phenyl-2-methylamino-propan|EINECS 251-687-0|UNII-Y24T9BT2Q2|(R)-N-Methyl-1-phenylpropan-2-amine|(-)-Methyl(alpha-methylphenethyl)amine|Y24T9BT2Q2|r(-)-methamphetamine|Benzeneethanamine, N,alphShow More

Canonical SMILES:  CN[C@H](C)Cc1ccccc1

Standard InChI:  InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1

Standard InChI Key:  MYWUZJCMWCOHBA-SECBINFHSA-N

Molfile:  

     RDKit          2D

 11 11  0  0  1  0  0  0  0  0999 V2000
    3.0417    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  3  2  1  0
  4  1  1  0
  5  1  1  0
  6  3  2  0
  7  3  1  0
  4  8  1  6
  9  6  1  0
 10  7  2  0
 11 10  1  0
  9 11  2  0
M  END

Alternative Forms

  1. Parent:

Associated Targets(Human)

TAAR1 Tclin Trace amine-associated receptor 1 (1397 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

MAOB Monoamine oxidase B (894 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Maob Monoamine oxidase B (2209 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TAAR1 Trace amine-associated receptor 1 (20 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Taar1 Trace amine-associated receptor 1 (899 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Taar1 Trace amine-associated receptor 1 (1619 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: YesOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: YesAvailability: NoProdrug: No

Biocomponents

Calculated Properties

Molecular Weight: 149.24Molecular Weight (Monoisotopic): 149.1204AlogP: 1.84#Rotatable Bonds: 3
Polar Surface Area: 12.03Molecular Species: BASEHBA: 1HBD: 1
#RO5 Violations: HBA (Lipinski): 1HBD (Lipinski): 1#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 10.21CX LogP: 2.24CX LogD: -0.44
Aromatic Rings: 1Heavy Atoms: 11QED Weighted: 0.69Np Likeness Score: -0.21

References

1. Smith RA, White RL, Krantz A..  (1988)  Stereoisomers of allenic amines as inactivators of monoamine oxidase type B. Stereochemical probes of the active site.,  31  (8): [PMID:3397993] [10.1021/jm00403a012]
2. Lewin AH, Miller GM, Gilmour B..  (2011)  Trace amine-associated receptor 1 is a stereoselective binding site for compounds in the amphetamine class.,  19  (23): [PMID:22037049] [10.1016/j.bmc.2011.10.007]
3. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 
4. Reese EA, Norimatsu Y, Grandy MS, Suchland KL, Bunzow JR, Grandy DK..  (2014)  Exploring the determinants of trace amine-associated receptor 1's functional selectivity for the stereoisomers of amphetamine and methamphetamine.,  57  (2): [PMID:24354319] [10.1021/jm401316v]
5. Glennon RA..  (2017)  The 2014 Philip S. Portoghese Medicinal Chemistry Lectureship: The "Phenylalkylaminome" with a Focus on Selected Drugs of Abuse.,  60  (7): [PMID:28244748] [10.1021/acs.jmedchem.7b00085]