benzyl[2-(2,6-dimethoxyphenoxy)ethyl]amine

• ChemBase编号: 311942
• 分子式: C17H21NO3
• 平均质量: 287.35354
• 单一同位素质量: 287.15214354
• SMILES: c1(c(OC)cccc1OC)OCCNCc1ccccc1
• Canonical SMILES: COc1cccc(c1OCCNCc1ccccc1)OC
• InChI: InChI=1S/C17H21NO3/c1-19-15-9-6-10-16(20-2)17(15)21-12-11-18-13-14-7-4-3-5-8-14/h3-10,18H,11-13H2,1-2H3
• InChIKey: UHCZGEARJQQIHS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzyl[2-(2,6-dimethoxyphenoxy)ethyl]amine
• IUPAC传统名: benzyl[2-(2,6-dimethoxyphenoxy)ethyl]amine
• 别名: N-benzyl-2-(2,6-dimethoxyphenoxy)ethanamine

登记号

• CAS号: 770703-33-8
• MDL号: MFCD03993369

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.24405849
• LogD (pH = 7.4): 1.0973893
• Log P: 2.8603017
• 摩尔折射率: 82.7846 cm^3
• 极化性: 32.690296 Å^3
• 极化表面积: 39.72 Å^2