(2,2-diphenylethyl)(methyl)[2-(oxan-4-yl)ethyl]amine

• ChemBase编号: 687187
• 分子式: C22H29NO
• 平均质量: 323.47176
• 单一同位素质量: 323.22491455
• SMILES: C(CN(CCC1CCOCC1)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(CC(c1ccccc1)c1ccccc1)CCC1CCOCC1
• InChI: InChI=1S/C22H29NO/c1-23(15-12-19-13-16-24-17-14-19)18-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3
• InChIKey: LCCDAVJVUBQTEZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,2-diphenylethyl)(methyl)[2-(oxan-4-yl)ethyl]amine
• IUPAC传统名: (2,2-diphenylethyl)(methyl)[2-(oxan-4-yl)ethyl]amine
• 别名: (2,2-diphenylethyl)methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.0292569
• LogD (pH = 7.4): 1.9275494
• Log P: 4.4904823
• 摩尔折射率: 101.8938 cm^3
• 极化性: 39.824463 Å^3
• 极化表面积: 12.47 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: 4.26
• LOG S: -4.19
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 7