[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl][1-(4-methoxyphenyl)ethyl]amine

• ChemBase编号: 190865
• 分子式: C24H33NO2
• 平均质量: 367.52432
• 单一同位素质量: 367.2511293
• SMILES: C1(CC(OCC1)(C)C)(c1ccccc1)CCNC(c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)C(NCCC1(CCOC(C1)(C)C)c1ccccc1)C
• InChI: InChI=1S/C24H33NO2/c1-19(20-10-12-22(26-4)13-11-20)25-16-14-24(21-8-6-5-7-9-21)15-17-27-23(2,3)18-24/h5-13,19,25H,14-18H2,1-4H3
• InChIKey: LYEDNWOKJZIYAU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl][1-(4-methoxyphenyl)ethyl]amine
• IUPAC传统名: [2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl][1-(4-methoxyphenyl)ethyl]amine

登记号

• PubChem SID: 164246775
• PubChem CID: 3760187

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.4918747
• LogD (pH = 7.4): 2.2082732
• Log P: 4.709903
• 摩尔折射率: 111.7866 cm^3
• 极化性: 44.150368 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

• 简要说明: 2 Diastereomers
• 分类: Derivatives & analogs of Natural Compounds