(2H3)methyl[(2S)-1-phenylpropan-2-yl]amine hydrochloride

• ChemBase ID: 172804
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1cccc(c1)C[C@@H](NC)C.Cl
• Canonical SMILES: CN[C@H](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/t9-;/m0./s1
• InChIKey: TWXDDNPPQUTEOV-FVGYRXGTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)methyl[(2S)-1-phenylpropan-2-yl]amine hydrochloride
• IUPAC Traditional name: (^2H₃)methyl[(2S)-1-phenylpropan-2-yl]amine hydrochloride
• Synonyms: (αS)-N,α-Dimethylbenzeneethanamine-d3 Hydrochloride; L-(+)-Methamphetamine-d3 Chloride; Adipex-d3; Amphedroxyn-d3; Deofed-d3; Desfedrin-d3; Desoxo 5-d3; Hiropon-d3; Isophen-d3; Madrine-d3; Methedrine-d3; Tonedron-d3; S-(+)-Methamphetamine-d3 Hydrochloride

Database IDs

• PubChem SID: 164228714
• PubChem CID: 71750025

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

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol; Water
• Apperance: Off-White to Pale Yellow
• Melting Point: 174-176°C

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer

DETAILS

Toronto Research Chemicals - M258792

A 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)