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

• ChemBase编号: 610084
• 分子式: C23H27N3
• 平均质量: 345.48058
• 单一同位素质量: 345.22049788
• SMILES: C1(C(C1)CN(CCn1c(ncc1)C)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(CC1CC1(c1ccccc1)c1ccccc1)CCn1ccnc1C
• InChI: InChI=1S/C23H27N3/c1-19-24-13-14-26(19)16-15-25(2)18-22-17-23(22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,22H,15-18H2,1-2H3
• InChIKey: FSHQETYHOUTJFD-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.41364223
• LogD (pH = 7.4): 1.4831125
• Log P: 3.8554125
• 摩尔折射率: 118.0194 cm^3
• 极化性: 41.686897 Å^3
• 极化表面积: 21.06 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.73
• LOG S: -3.9
• 极化表面积: 21.06 Å^2
• 可自由旋转的化学键: 7