[(4-methoxyphenyl)methyl]({4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl})amine

• ChemBase编号: 193921
• 分子式: C23H33NO2
• 平均质量: 355.51362
• 单一同位素质量: 355.2511293
• SMILES: c1(C(C(C)C)CCNCc2ccc(cc2)OC)ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccc(cc1)CNCCC(c1ccc(cc1)OC(C)C)C(C)C
• InChI: InChI=1S/C23H33NO2/c1-17(2)23(20-8-12-22(13-9-20)26-18(3)4)14-15-24-16-19-6-10-21(25-5)11-7-19/h6-13,17-18,23-24H,14-16H2,1-5H3
• InChIKey: NMEXONRNWNXLNU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4-methoxyphenyl)methyl]({4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl})amine
• IUPAC传统名: [3-(4-isopropoxyphenyl)-4-methylpentyl][(4-methoxyphenyl)methyl]amine

登记号

• PubChem SID: 164249831
• PubChem CID: 3830517

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.2535098
• LogD (pH = 7.4): 3.0422983
• Log P: 5.465945
• 摩尔折射率: 109.0666 cm^3
• 极化性: 43.026512 Å^3
• 极化表面积: 30.49 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds