[(4-methoxynaphthalen-1-yl)methyl](1-methoxypropan-2-yl)amine

• ChemBase编号: 310860
• 分子式: C16H21NO2
• 平均质量: 259.34344
• 单一同位素质量: 259.15722892
• SMILES: c12c(c(ccc1CNC(COC)C)OC)cccc2
• Canonical SMILES: COCC(NCc1ccc(c2c1cccc2)OC)C
• InChI: InChI=1S/C16H21NO2/c1-12(11-18-2)17-10-13-8-9-16(19-3)15-7-5-4-6-14(13)15/h4-9,12,17H,10-11H2,1-3H3
• InChIKey: HZARHADGQPNARO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4-methoxynaphthalen-1-yl)methyl](1-methoxypropan-2-yl)amine
• IUPAC传统名: [(4-methoxynaphthalen-1-yl)methyl](1-methoxypropan-2-yl)amine
• 别名: (2-methoxy-1-methylethyl)[(4-methoxy-1-naphthyl)methyl]amine

登记号

• CAS号: 353778-44-6
• MDL号: MFCD01134931

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.4281412
• LogD (pH = 7.4): 0.7242797
• Log P: 2.7329996
• 摩尔折射率: 77.6817 cm^3
• 极化性: 31.838625 Å^3
• 极化表面积: 30.49 Å^2