methyl(2-methyl-1-phenylpropan-2-yl)amine

• ChemBase编号: 1190
• 分子式: C11H17N
• 平均质量: 163.25938
• 单一同位素质量: 163.13609955
• SMILES: N(C(Cc1ccccc1)(C)C)C
• Canonical SMILES: CNC(Cc1ccccc1)(C)C
• InChI: InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
• InChIKey: RXQCGGRTAILOIN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(2-methyl-1-phenylpropan-2-yl)amine
• IUPAC传统名: mephentermine
• 商标名: Wyfentermina; Wyamine; Vialin; Mephine
• 别名: Mephetedrine; Mephenterdrinum; Mephenterdrine; Mefentermin; Mefenterdrin; N-methylphentermine; Mephentermine

登记号

• CAS号: 100-92-5
• PubChem SID: 46505918; 160964652
• PubChem CID: 3677

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.7128204
• LogD (pH = 7.4): -0.22165447
• Log P: 2.5174077
• 摩尔折射率: 53.118 cm^3
• 极化性: 21.058298 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

ALOGPS 2.1

• Log P: 2.54
• LOG S: -2.55
• 溶解度: 4.57e-01 g/l

详细说明

DrugBank - DB01365

• Drug Groups: approved
• Description: A sympathomimetic agent with mainly indirect effects on adrenergic receptors. It is used to maintain blood pressure in hypotensive states, for example, following spinal anesthesia. Although the central stimulant effects of mephentermine are much less than those of amphetamine, its use may lead to amphetamine-type dependence. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1248)
• Indication: Used to maintain blood pressure in hypotensive states.
• Pharmacology: Mephentermine is a sympathomimetic agent with mainly indirect effects on adrenergic receptors. It is used to maintain blood pressure in hypotensive states, for example, following spinal anesthesia. Although the central stimulant effects of mephentermine are much less than those of amphetamine, its use may lead to amphetamine-type dependence. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1248)
• Affected Organisms: Humans and other mammals
• Biotransformation: Hepatic, by N-demethylation and then p-hydroxylation.
• Half Life: 17 to 18 hours.