[2-(4-ethylphenoxy)ethyl](methyl)amine

• ChemBase编号: 312465
• 分子式: C11H17NO
• 平均质量: 179.25878
• 单一同位素质量: 179.13101417
• SMILES: c1(ccc(cc1)CC)OCCNC
• Canonical SMILES: CNCCOc1ccc(cc1)CC
• InChI: InChI=1S/C11H17NO/c1-3-10-4-6-11(7-5-10)13-9-8-12-2/h4-7,12H,3,8-9H2,1-2H3
• InChIKey: OQCZVYNNBMVDGO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(4-ethylphenoxy)ethyl](methyl)amine
• IUPAC传统名: [2-(4-ethylphenoxy)ethyl](methyl)amine
• 别名: 2-(4-ethylphenoxy)-N-methylethanamine

登记号

• MDL号: MFCD08691937

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.76705813
• LogD (pH = 7.4): 0.31015515
• Log P: 2.409161
• 摩尔折射率: 54.8878 cm^3
• 极化性: 21.682486 Å^3
• 极化表面积: 21.26 Å^2