[(1-phenylcyclopentyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine

• ChemBase编号: 183652
• 分子式: C22H29NO3
• 平均质量: 355.47056
• 单一同位素质量: 355.21474379
• SMILES: c1(c(cc(cc1OC)CNCC1(c2ccccc2)CCCC1)OC)OC
• Canonical SMILES: COc1cc(CNCC2(CCCC2)c2ccccc2)cc(c1OC)OC
• InChI: InChI=1S/C22H29NO3/c1-24-19-13-17(14-20(25-2)21(19)26-3)15-23-16-22(11-7-8-12-22)18-9-5-4-6-10-18/h4-6,9-10,13-14,23H,7-8,11-12,15-16H2,1-3H3
• InChIKey: XZNPCPYOZXXTPH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(1-phenylcyclopentyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine
• IUPAC传统名: [(1-phenylcyclopentyl)methyl][(3,4,5-trimethoxyphenyl)methyl]amine

登记号

• PubChem SID: 164239562
• PubChem CID: 1770972

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.048744
• LogD (pH = 7.4): 2.0304766
• Log P: 4.2401004
• 摩尔折射率: 104.3327 cm^3
• 极化性: 41.09567 Å^3
• 极化表面积: 39.72 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds