methyl[1-(4-methylpyridin-2-yl)propan-2-yl](2-phenylethyl)amine

• ChemBase编号: 763233
• 分子式: C18H24N2
• 平均质量: 268.39656
• 单一同位素质量: 268.19394878
• SMILES: C(c1nccc(c1)C)C(N(CCc1ccccc1)C)C
• Canonical SMILES: CN(C(Cc1nccc(c1)C)C)CCc1ccccc1
• InChI: InChI=1S/C18H24N2/c1-15-9-11-19-18(13-15)14-16(2)20(3)12-10-17-7-5-4-6-8-17/h4-9,11,13,16H,10,12,14H2,1-3H3
• InChIKey: ZLAQSJDIIVJQMY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[1-(4-methylpyridin-2-yl)propan-2-yl](2-phenylethyl)amine
• IUPAC传统名: methyl[1-(4-methylpyridin-2-yl)propan-2-yl](2-phenylethyl)amine
• 别名: N-methyl-1-(4-methylpyridin-2-yl)-N-(2-phenylethyl)propan-2-amine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.52138036
• LogD (pH = 7.4): 1.7904205
• Log P: 3.9585855
• 摩尔折射率: 85.4486 cm^3
• 极化性: 33.28318 Å^3
• 极化表面积: 16.13 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.37
• LOG S: -1.73
• 极化表面积: 16.13 Å^2
• 可自由旋转的化学键: 6