[2-(dimethylamino)-2-methylpropyl]({[4-(3-methylbutoxy)phenyl]methyl})amine

• ChemBase编号: 270363
• 分子式: C18H32N2O
• 平均质量: 292.45948
• 单一同位素质量: 292.25146365
• SMILES: C(N(C)C)(CNCc1ccc(cc1)OCCC(C)C)(C)C
• Canonical SMILES: CC(CCOc1ccc(cc1)CNCC(N(C)C)(C)C)C
• InChI: InChI=1S/C18H32N2O/c1-15(2)11-12-21-17-9-7-16(8-10-17)13-19-14-18(3,4)20(5)6/h7-10,15,19H,11-14H2,1-6H3
• InChIKey: SKOOBLYEIYKHPL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(dimethylamino)-2-methylpropyl]({[4-(3-methylbutoxy)phenyl]methyl})amine
• IUPAC传统名: [2-(dimethylamino)-2-methylpropyl]({[4-(3-methylbutoxy)phenyl]methyl})amine
• 别名: [2-(dimethylamino)-2-methylpropyl]({[4-(3-methylbutoxy)phenyl]methyl})amine

登记号

• MDL号: MFCD13351972
• PubChem SID: 164326273
• PubChem CID: 28102602

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.10188558
• LogD (pH = 7.4): 1.3882512
• Log P: 3.7006378
• 摩尔折射率: 91.2675 cm^3
• 极化性: 36.204075 Å^3
• 极化表面积: 24.5 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 4.503

产品相关信息

• 纯度: 95%