[(4-methoxyphenyl)methyl](naphthalen-1-ylmethyl)amine

• ChemBase编号: 293207
• 分子式: C19H19NO
• 平均质量: 277.36026
• 单一同位素质量: 277.14666423
• SMILES: COc1ccc(cc1)CNCc1c2ccccc2ccc1
• Canonical SMILES: COc1ccc(cc1)CNCc1cccc2c1cccc2
• InChI: InChI=1S/C19H19NO/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3
• InChIKey: GIFYKGIODMXYNT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4-methoxyphenyl)methyl](naphthalen-1-ylmethyl)amine; [(4-methoxyphenyl)methyl][(naphthalen-1-yl)methyl]amine
• IUPAC传统名: [(4-methoxyphenyl)methyl](naphthalen-1-ylmethyl)amine
• 别名: N-(4-Methoxybenzyl)-1-(naphthalen-1-yl)methanamine; (4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine; (4-methoxybenzyl)(1-naphthylmethyl)amine

登记号

• CAS号: 185669-79-8
• MDL号: MFCD01469095
• PubChem SID: 180678738
• PubChem CID: 781301

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.9514036
• LogD (pH = 7.4): 2.1997063
• Log P: 4.0878735
• 摩尔折射率: 86.832 cm^3
• 极化性: 35.310192 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%; 98%