[1-(4-fluorophenyl)propan-2-yl](methyl)amine hydrochloride

• ChemBase编号: 169144
• 分子式: C10H15ClFN
• 平均质量: 203.6842032
• 单一同位素质量: 203.08770539
• SMILES: c1c(ccc(c1)CC(NC)C)F.Cl
• Canonical SMILES: CNC(Cc1ccc(cc1)F)C.Cl
• InChI: InChI=1S/C10H14FN.ClH/c1-8(12-2)7-9-3-5-10(11)6-4-9;/h3-6,8,12H,7H2,1-2H3;1H
• InChIKey: ATENQHYHZHUQLJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(4-fluorophenyl)propan-2-yl](methyl)amine hydrochloride
• IUPAC传统名: 4-fluoromethamphetamine hydrochloride
• 别名: 4-Fluoro-N,α-dimethylbenzeneethanamine Hydrochloride; 1-(4-Fluorophenyl)-2-(methylamino)propane Hydrochloride; p-Fluoro-N,α-dimethylbenzeneethanamine Hydrochloride; 4-Fluoro Methamphetamine Hydrochloride

登记号

• CAS号: 351-03-1(freebase)
• PubChem SID: 162263276
• PubChem CID: 71316839

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.8462444
• LogD (pH = 7.4): -0.25802657
• Log P: 2.3795328
• 摩尔折射率: 48.6962 cm^3
• 极化性: 18.78993 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - F593105

An analog of Methamphetamine (M258795). Controlled substance.

参考文献

• Rosner, P. et al.: For. Sci. Int., 148, 143 (2005)
• Curtis, B., et al.: J. Anal. Toxicol., 27, 493 (2005)
• Staack, R., et al.: Curr. Drug Metab., 6, 259 (2005)
• Pichini, S., et al.: J. Pharm. Biomed. Anal., 47, 335 (2005)