[2-(3-ethoxyphenoxy)ethyl](methyl)amine

• ChemBase编号: 312446
• 分子式: C11H17NO2
• 平均质量: 195.25818
• 单一同位素质量: 195.12592879
• SMILES: c1c(OCC)cccc1OCCNC
• Canonical SMILES: CNCCOc1cccc(c1)OCC
• InChI: InChI=1S/C11H17NO2/c1-3-13-10-5-4-6-11(9-10)14-8-7-12-2/h4-6,9,12H,3,7-8H2,1-2H3
• InChIKey: DAGCKUWREJSPTH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(3-ethoxyphenoxy)ethyl](methyl)amine
• IUPAC传统名: [2-(3-ethoxyphenoxy)ethyl](methyl)amine
• 别名: 2-(3-ethoxyphenoxy)-N-methylethanamine

登记号

• CAS号: 915921-56-1
• MDL号: MFCD08691929

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.5221219
• LogD (pH = 7.4): -0.42445803
• Log P: 1.6503078
• 摩尔折射率: 56.4574 cm^3
• 极化性: 22.415386 Å^3
• 极化表面积: 30.49 Å^2