(4-methoxyphenyl)[4-(trifluoromethyl)phenyl]methanamine hydrochloride

• ChemBase编号: 248230
• 分子式: C15H15ClF3NO
• 平均质量: 317.7339096
• 单一同位素质量: 317.07942645
• SMILES: C(c1ccc(C(c2ccc(cc2)OC)N)cc1)(F)(F)F.Cl
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)C(F)(F)F)N.Cl
• InChI: InChI=1S/C15H14F3NO.ClH/c1-20-13-8-4-11(5-9-13)14(19)10-2-6-12(7-3-10)15(16,17)18;/h2-9,14H,19H2,1H3;1H
• InChIKey: OLSYIYVHAZMYFA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methoxyphenyl)[4-(trifluoromethyl)phenyl]methanamine hydrochloride
• IUPAC传统名: (4-methoxyphenyl)[4-(trifluoromethyl)phenyl]methanamine hydrochloride
• 别名: (4-methoxyphenyl)[4-(trifluoromethyl)phenyl]methanamine hydrochloride

登记号

• PubChem SID: 164304140
• PubChem CID: 71758420

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.69904417
• LogD (pH = 7.4): 2.0133452
• Log P: 3.6034317
• 摩尔折射率: 71.2511 cm^3
• 极化性: 26.780228 Å^3
• 极化表面积: 35.25 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 216 - 218°C
• 疏水性(logP): 3.244

产品相关信息

• 纯度: 95%