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

• ChemBase编号: 194558
• 分子式: C24H35NO3
• 平均质量: 385.5396
• 单一同位素质量: 385.26169399
• SMILES: c1(c(ccc(c1)CNCCC(c1ccc(OC(C)C)cc1)C(C)C)OC)OC
• Canonical SMILES: COc1cc(CNCCC(c2ccc(cc2)OC(C)C)C(C)C)ccc1OC
• InChI: InChI=1S/C24H35NO3/c1-17(2)22(20-8-10-21(11-9-20)28-18(3)4)13-14-25-16-19-7-12-23(26-5)24(15-19)27-6/h7-12,15,17-18,22,25H,13-14,16H2,1-6H3
• InChIKey: AKKNPBZYGGQDLY-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164250468
• PubChem CID: 2965343

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.106824
• LogD (pH = 7.4): 3.0079725
• Log P: 5.308274
• 摩尔折射率: 115.5298 cm^3
• 极化性: 45.519043 Å^3
• 极化表面积: 39.72 Å^2
• 可自由旋转的化学键: 11
• 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