ethyl[2-(2-fluorophenoxy)ethyl]amine

• ChemBase编号: 312538
• 分子式: C10H14FNO
• 平均质量: 183.2226632
• 单一同位素质量: 183.10594229
• SMILES: c1(c(OCCNCC)cccc1)F
• Canonical SMILES: CCNCCOc1ccccc1F
• InChI: InChI=1S/C10H14FNO/c1-2-12-7-8-13-10-6-4-3-5-9(10)11/h3-6,12H,2,7-8H2,1H3
• InChIKey: RFPTTZZABGFBDC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl[2-(2-fluorophenoxy)ethyl]amine
• IUPAC传统名: ethyl[2-(2-fluorophenoxy)ethyl]amine
• 别名: N-ethyl-2-(2-fluorophenoxy)ethanamine

登记号

• CAS号: 915920-96-6
• MDL号: MFCD08691956

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.2251742
• LogD (pH = 7.4): -0.14594445
• Log P: 1.950681
• 摩尔折射率: 50.2106 cm^3
• 极化性: 19.550848 Å^3
• 极化表面积: 21.26 Å^2