(2,2-diphenylethyl)(methyl)[(1-methyl-1H-imidazol-2-yl)methyl]amine

• ChemBase编号: 646839
• 分子式: C20H23N3
• 平均质量: 305.41672
• 单一同位素质量: 305.18919775
• SMILES: c1(n(ccn1)C)CN(CC(c1ccccc1)c1ccccc1)C
• Canonical SMILES: CN(Cc1nccn1C)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H23N3/c1-22(16-20-21-13-14-23(20)2)15-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,19H,15-16H2,1-2H3
• InChIKey: UZPFCCWVSZFBNT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,2-diphenylethyl)(methyl)[(1-methyl-1H-imidazol-2-yl)methyl]amine
• IUPAC传统名: (2,2-diphenylethyl)(methyl)[(1-methylimidazol-2-yl)methyl]amine
• 别名: (2,2-diphenylethyl)methyl[(1-methyl-1H-imidazol-2-yl)methyl]amine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.3740278
• LogD (pH = 7.4): 3.015689
• Log P: 3.604926
• 摩尔折射率: 95.7134 cm^3
• 极化性: 36.96761 Å^3
• 极化表面积: 21.06 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: 3.62
• LOG S: -3.51
• 极化表面积: 21.06 Å^2
• 可自由旋转的化学键: 6