1-(4-chlorophenyl)-2-methylpropan-2-amine

• ChemBase编号: 1340
• 分子式: C10H14ClN
• 平均质量: 183.67786
• 单一同位素质量: 183.08147713
• SMILES: Clc1ccc(CC(N)(C)C)cc1
• Canonical SMILES: CC(Cc1ccc(cc1)Cl)(N)C
• InChI: InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3
• InChIKey: ZCKAMNXUHHNZLN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(4-chlorophenyl)-2-methylpropan-2-amine
• IUPAC传统名: chlorphentermine
• 商标名: Apsedon; Desopimon; Lucofen; Clomina; Dezopimon; Effox; Lucofene; Nilgana; Pre-sate; Teramine
• 别名: 1-(p-Chlorophenyl)-2-methyl-2-aminopropane hydrochloride; 1-(p-Chlorophenyl)-2-methyl-2-aminopropane; 1-(4-Chlorophenyl)-2-methyl-2-propanamine; 4-Chloro-alpha,alpha-dimethylbenzeneethanamine; 4-Chloro-alpha,alpha-dimethylphenethylamine; alpha,alpha-dimethyl-p-chlorophenethylamine; Beta-(p-chlorophenyl)-alpha,alpha-dimethylethylamine; Chlorophentermine; Chlorophentermine hydrochloride; Chlorpentermine; Chlorphenteramine; Chlorphentermine hydrochloride; Chlorphenterminum [inn-latin]; Chlorphenterminum hydrochloride; Clorfentermina [inn-spanish]; P-chloro-alpha,alpha-dimethylphenethylamine; P-chlorphentermine hydrochloride; Chlorphentermine; 2-(4-CHLORO-PHENYL)-1,1-DIMETHYL-ETHYLAMINE

登记号

• CAS号: 151-06-4; 461-78-9
• PubChem SID: 160964800; 46505599
• PubChem CID: 10007

理论计算性质

ALOGPS 2.1

• LOG S: -3.24
• 溶解度: 1.05e-01 g/l
• Log P: 2.81

JChem

• 摩尔折射率: 53.1482 cm^3
• 极化性: 21.005404 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
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.3357499
• LogD (pH = 7.4): 0.06515853
• Log P: 2.6888719

分子性质

理化性质

• 疏水性(logP): 2.60 [HANSCH,C ET AL. (1995)]

产品相关信息

• 纯度: 98%

详细说明

DrugBank - DB01556

• Drug Groups: illicit; experimental; withdrawn
• Description: A sympathomimetic agent that was formerly used as an anorectic. It has properties similar to those of dextroamphetamine. It has been implicated in lipid storage disorders and pulmonary hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1223)
• Indication: Used as an appetite suppressant.
• Pharmacology: Chlorphentermine is a relatively weak stimulant with little abuse potential. It is no longer used due mainly to safety concerns, as it has a serotonergic effects profile similar to other withdrawn appetite suppressants such as fenfluramine and aminorex which were found to cause pulmonary hypertension and cardiac fibrosis following prolonged use.
• Absorption: Well absorbed following oral administration.
• Half Life: 40 hours
• References: GYLYS JA, HART JJ, WARREN MR: Chlorphentermine, a new anorectic agent. J Pharmacol Exp Ther. 1962 Sep;137:365-73. [Pubmed]
• External Links: Wikipedia

参考文献

• GYLYS JA, HART JJ, WARREN MR: Chlorphentermine, a new anorectic agent. J Pharmacol Exp Ther. 1962 Sep;137:365-73. Pubmed