[3-(3-ethylphenoxy)propyl](methyl)amine

• ChemBase编号: 312447
• 分子式: C12H19NO
• 平均质量: 193.28536
• 单一同位素质量: 193.14666423
• SMILES: c1c(OCCCNC)cccc1CC
• Canonical SMILES: CNCCCOc1cccc(c1)CC
• InChI: InChI=1S/C12H19NO/c1-3-11-6-4-7-12(10-11)14-9-5-8-13-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3
• InChIKey: LFATYAVODMGQKY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(3-ethylphenoxy)propyl](methyl)amine
• IUPAC传统名: [3-(3-ethylphenoxy)propyl](methyl)amine
• 别名: 3-(3-ethylphenoxy)-N-methyl-1-propanamine

登记号

• MDL号: MFCD08691930

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.75440806
• LogD (pH = 7.4): -0.12467786
• Log P: 2.469121
• 摩尔折射率: 59.7532 cm^3
• 极化性: 23.529507 Å^3
• 极化表面积: 21.26 Å^2