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

• ChemBase ID: 161318
• Molecular Formular: C17H22ClN
• Molecular Mass: 275.81628
• Monoisotopic Mass: 275.14407739
• SMILES: c1cccc(c1)C[C@@H](N(Cc1ccccc1)C)C.Cl
• Canonical SMILES: CN([C@H](Cc1ccccc1)C)Cc1ccccc1.Cl
• InChI: InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1
• InChIKey: ANFSNXAXVLRZCG-RSAXXLAASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(^2H₃)methyl[(2S)-1-phenylpropan-2-yl]amine hydrochloride
• IUPAC Traditional name: benzyl(^2H₃)methyl[(2S)-1-phenylpropan-2-yl]amine hydrochloride
• Synonyms: (αS)-N,α-Dimethyl-N-(phenylmethyl)benzeneethanamine-d3 Hydrochloride; (+)-N-Benzyl-N,α-dimethylphenethylamine-d3 Hydrochloride; (+)-Benzphetamine-d3 Hydrochloride; Benzphetamine-d3 Hydrochloride; Didrex-d3; Inapetyl-d3; NSC 10937-d3; U-0441-d3; d-Benzphetamine-d3 Hydrochloride; (S)-Benzphetamine-d3 Hydrochloride

Database IDs

• PubChem SID: 162255453
• PubChem CID: 71313722

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.90645355
• LogD (pH = 7.4): 1.9718962
• Log P: 4.344352
• Molar Refractivity: 78.3871 cm^3
• Polarizability: 30.702759 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - B209877

The labelled S-enantiomer of Benzphetamine (B209880). Controlled substance (stimulant). Anorexic.

REFERENCES

• Stewart, J.T., et al.: J. Pharma. Sci., 60, 461 (1971)