{3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl}(1-phenylethyl)amine

• ChemBase编号: 190947
• 分子式: C26H31NO
• 平均质量: 373.53044
• 单一同位素质量: 373.24056462
• SMILES: c1(C(c2ccccc2)CCNC(c2ccccc2)C)ccc(OC(C)C)cc1
• Canonical SMILES: CC(Oc1ccc(cc1)C(c1ccccc1)CCNC(c1ccccc1)C)C
• InChI: InChI=1S/C26H31NO/c1-20(2)28-25-16-14-24(15-17-25)26(23-12-8-5-9-13-23)18-19-27-21(3)22-10-6-4-7-11-22/h4-17,20-21,26-27H,18-19H2,1-3H3
• InChIKey: MQORINLVPMKXGS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl}(1-phenylethyl)amine
• IUPAC传统名: [3-(4-isopropoxyphenyl)-3-phenylpropyl](1-phenylethyl)amine

登记号

• PubChem SID: 164246857
• PubChem CID: 5124210

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.2197042
• LogD (pH = 7.4): 3.863681
• Log P: 6.4424076
• 摩尔折射率: 117.9676 cm^3
• 极化性: 46.495293 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 9
• 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