{[4-(tert-butoxy)phenyl]methyl}[3-(furan-2-yl)-4-phenylbutyl]amine

• ChemBase编号: 198858
• 分子式: C25H31NO2
• 平均质量: 377.51914
• 单一同位素质量: 377.23547924
• SMILES: c1(occc1)C(Cc1ccccc1)CCNCc1ccc(OC(C)(C)C)cc1
• Canonical SMILES: CC(Oc1ccc(cc1)CNCCC(c1ccco1)Cc1ccccc1)(C)C
• InChI: InChI=1S/C25H31NO2/c1-25(2,3)28-23-13-11-21(12-14-23)19-26-16-15-22(24-10-7-17-27-24)18-20-8-5-4-6-9-20/h4-14,17,22,26H,15-16,18-19H2,1-3H3
• InChIKey: SQKTZSVDSKNMTE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[4-(tert-butoxy)phenyl]methyl}[3-(furan-2-yl)-4-phenylbutyl]amine
• IUPAC传统名: {[4-(tert-butoxy)phenyl]methyl}[3-(furan-2-yl)-4-phenylbutyl]amine

登记号

• PubChem SID: 164254768
• PubChem CID: 4350646

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.5322933
• LogD (pH = 7.4): 3.437616
• Log P: 5.7332706
• 摩尔折射率: 115.2559 cm^3
• 极化性: 45.046658 Å^3
• 极化表面积: 34.4 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds