(2H3)methyl(1-phenylpropan-2-yl)amine hydrochloride

• ChemBase ID: 172806
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1cccc(c1)CC(NC)C.Cl
• Canonical SMILES: CNC(Cc1ccccc1)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H
• InChIKey: TWXDDNPPQUTEOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)methyl(1-phenylpropan-2-yl)amine hydrochloride
• IUPAC Traditional name: (^2H₃)methyl(1-phenylpropan-2-yl)amine hydrochloride
• Synonyms: N,α-Dimethylbenzeneethanamine-d3 Hydrochloride; 2-(Methyl-d3)amino-1-phenylpropane Hydrochloride; (+/-)-Methamphetamine-d3 Hydrochloride; NSC 169506-d3; NSC 22367-d3; Obesin-d3; Obesine-d3; dl-Desoxyephedrine-d3 Hydrochloride; dl-Methamphetamine-d3 Hydrochloride; rac Methamphetamine-d3 Hydrochloride

Database IDs

• PubChem SID: 164228716
• PubChem CID: 46782137

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9906569
• LogD (pH = 7.4): -0.43709657
• Log P: 2.236831
• Molar Refractivity: 48.4798 cm^3
• Polarizability: 19.211535 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M258797

A labelled CNS stimulant. Anorexic. In attention deficit disorder with hyperactivity. Controlled substance (stimulant).

REFERENCES

• Lands, M., et al.: J. Pharmacol. Exp. Ther., 89, 382 (1947)
• Repke, D.B., et al.: J. Pharm. Sci., 67, 1167 (1947)
• Pope, H.G., et al.: J. Clin. Psychiatry, 47, 339 (1947)
• Cho, A.K., et al.: Science, 249, 631 (1947)