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

• ChemBase编号: 176502
• 分子式: C10H16ClN
• 平均质量: 185.69374
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 2-methyl-1-(^2H₅)phenylpropan-2-amine hydrochloride
• IUPAC传统名: 2-methyl-1-(^2H₅)phenylpropan-2-amine hydrochloride
• 别名: 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

登记号

• PubChem SID: 164232412
• PubChem CID: 71751592

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.94001377
• LogD (pH = 7.4): -0.5458378
• Log P: 2.0848272
• 摩尔折射率: 48.3434 cm^3
• 极化性: 19.23358 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - P318832

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

参考文献

• 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)