{2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine

• ChemBase编号: 187142
• 分子式: C24H33NO2
• 平均质量: 367.52432
• 单一同位素质量: 367.2511293
• SMILES: C1(c2ccc(cc2)C)(CC(OCC1)(C)C)CCNCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNCCC1(CCOC(C1)(C)C)c1ccc(cc1)C
• InChI: InChI=1S/C24H33NO2/c1-19-5-9-21(10-6-19)24(14-16-27-23(2,3)18-24)13-15-25-17-20-7-11-22(26-4)12-8-20/h5-12,25H,13-18H2,1-4H3
• InChIKey: DPBZJXPNBZVODK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine
• IUPAC传统名: {2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine

登记号

• PubChem SID: 164243052
• PubChem CID: 3761830

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.5928173
• LogD (pH = 7.4): 2.3634813
• Log P: 4.8067493
• 摩尔折射率: 112.409 cm^3
• 极化性: 44.07055 Å^3
• 极化表面积: 30.49 Å^2
• 可自由旋转的化学键: 7
• 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