{1-[3-fluoro-4-(morpholin-4-yl)phenyl]ethyl}(methyl)amine hydrochloride

• ChemBase编号: 55262
• 分子式: C13H20ClFN2O
• 平均质量: 274.7621032
• 单一同位素质量: 274.12481917
• SMILES: c1(N2CCOCC2)c(cc(cc1)C(NC)C)F.Cl
• Canonical SMILES: CNC(c1ccc(c(c1)F)N1CCOCC1)C.Cl
• InChI: InChI=1S/C13H19FN2O.ClH/c1-10(15-2)11-3-4-13(12(14)9-11)16-5-7-17-8-6-16;/h3-4,9-10,15H,5-8H2,1-2H3;1H
• InChIKey: AFVOZERJPIASTM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {1-[3-fluoro-4-(morpholin-4-yl)phenyl]ethyl}(methyl)amine hydrochloride
• IUPAC传统名: {1-[3-fluoro-4-(morpholin-4-yl)phenyl]ethyl}(methyl)amine hydrochloride
• 别名: [1-(3-Fluoro-4-morpholin-4-ylphenyl)ethyl]-methylamine hydrochloride

登记号

• MDL号: MFCD18071172
• PubChem SID: 162060025
• PubChem CID: 56773526

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.2063841
• LogD (pH = 7.4): -0.19322605
• Log P: 1.980415
• 摩尔折射率: 67.4443 cm^3
• 极化性: 25.501143 Å^3
• 极化表面积: 24.5 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false