2-methyl-1-(2H5)phenylpropan-2-amine hydrochloride

• ChemBase ID: 176502
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1cccc(c1)CC(N)(C)C.Cl
• Canonical SMILES: CC(Cc1ccccc1)(N)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H
• InChIKey: NCAIGTHBQTXTLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(^2H₅)phenylpropan-2-amine hydrochloride
• IUPAC Traditional name: 2-methyl-1-(^2H₅)phenylpropan-2-amine hydrochloride
• Synonyms: α,α-Dimethylbenzeneethanamine-d5 Hydrochloride; α,α-Dimethylphenethylamine-d5 Hydrochloride; 1,1-Dimethyl-2-phenylethylamine-d5 Hydrochloride; 1-(Phenyl-d5)-2-methyl-2-propylamine Hydrochloride; Duromine-d5 Hydrochloride; Inoamin-d5 Hydrochloride; Ionamin-d5 Hydrochloride; Linyl-d5 Hydrochloride; Lipopill-d5 Hydrochloride; Lonamin-d5 Hydrochloride; Mirapront-d5 Hydrochloride; Normephentermine-d5 Hydrochloride; Omnibex-d5 Hydrochloride; Phenyl-tert-butylamine-d4 Hydrochloride; Wilpo-d5 Hydrochloride; Phentermine-d5 Hydrochloride

Database IDs

• PubChem SID: 164232412
• PubChem CID: 71751592

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.94001377
• LogD (pH = 7.4): -0.5458378
• Log P: 2.0848272
• Molar Refractivity: 48.3434 cm^3
• Polarizability: 19.23358 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P318832

Labelled Phentermine (P318830). An Amphetamine derivative.Controlled substance (stimulant). Anorexic.

REFERENCES

• Masheb, R., et al.: Obesity Res., 8, 638 (2000)
• Fernandez-Lopez, J., et al.: Drugs, 62, 915 (2000)
• Abelson, P., et al.: Science, 304, 1413 (2000)
• Padwal, R., et al.: Lancet, 369, 71 (2000)