(oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine

• ChemBase编号: 311643
• 分子式: C18H21NO
• 平均质量: 267.36544
• 单一同位素质量: 267.1623143
• SMILES: c1(c2ccccc2)ccc(cc1)CNCC1OCCC1
• Canonical SMILES: C1COC(C1)CNCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C18H21NO/c1-2-5-16(6-3-1)17-10-8-15(9-11-17)13-19-14-18-7-4-12-20-18/h1-3,5-6,8-11,18-19H,4,7,12-14H2
• InChIKey: QQYXAQMPMRUBMI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine
• IUPAC传统名: (oxolan-2-ylmethyl)[(4-phenylphenyl)methyl]amine
• 别名: (biphenyl-4-ylmethyl)(tetrahydrofuran-2-ylmethyl)amine

登记号

• CAS号: 356530-39-7
• MDL号: MFCD03210604

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.47705135
• LogD (pH = 7.4): 1.7755756
• Log P: 3.597409
• 摩尔折射率: 82.6969 cm^3
• 极化性: 33.93979 Å^3
• 极化表面积: 21.26 Å^2