1-[2-(2H3)methylphenyl]propan-2-amine hydrochloride

• ChemBase编号: 175937
• 分子式: C10H16ClN
• 平均质量: 185.69374
• 单一同位素质量: 185.0971272
• SMILES: c1ccc(c(c1)CC(N)C)C.Cl
• Canonical SMILES: CC(Cc1ccccc1C)N.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-8-5-3-4-6-10(8)7-9(2)11;/h3-6,9H,7,11H2,1-2H3;1H
• InChIKey: PIJNEJGPRPNSAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(^2H₃)methylphenyl]propan-2-amine hydrochloride
• IUPAC传统名: 1-[2-(^2H₃)methylphenyl]propan-2-amine hydrochloride
• 别名: (±)-o-(Methyl-d3)-α-methylphenylethylamine Hydrochloride; 2-(Methyl-d3)amphetamine Hydrochloride; DL-o,α-Dimethylphenethylamine-d3 Hydrochloride; Ortetamin-d3 Hydrochloride; o,α-Dimethylphenethylamine-d3 Hydrochloride; Ortetamine-d3 Hydrochloride

登记号

• PubChem SID: 164231847
• PubChem CID: 71751346

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.70175004
• LogD (pH = 7.4): -0.1665803
• Log P: 2.3176718
• 摩尔折射率: 48.7464 cm^3
• 极化性: 19.21185 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 - O697302

Labelled Ortetamine. Ortetamine is a stimulant drug of the amphetamine class. Ortetamine is a positional isomer of methamphetamine with properties similar to (S)-Amphetamine (A634245) but with much lower potency.

参考文献

• Higgs, R.A. et al.: Pharmacol. Biochem. Behav., 37, 835 (1990)