2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropan-1-amine hydrochloride

• ChemBase编号: 272024
• 分子式: C14H20ClNO2
• 平均质量: 269.7671
• 单一同位素质量: 269.11825657
• SMILES: C1(CC1N)c1cc2c(cc1OCC)CC(O2)C.Cl
• Canonical SMILES: CCOc1cc2CC(Oc2cc1C1CC1N)C.Cl
• InChI: InChI=1S/C14H19NO2.ClH/c1-3-16-14-5-9-4-8(2)17-13(9)7-11(14)10-6-12(10)15;/h5,7-8,10,12H,3-4,6,15H2,1-2H3;1H
• InChIKey: MXPFFKQMPPAWLO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropan-1-amine hydrochloride
• IUPAC传统名: 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropan-1-amine hydrochloride
• 别名: 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropan-1-amine hydrochloride

登记号

• MDL号: MFCD18089482
• PubChem SID: 164327934
• PubChem CID: 50988252

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.155152
• LogD (pH = 7.4): -0.2499245
• Log P: 1.8368114
• 摩尔折射率: 67.1 cm^3
• 极化性: 26.32181 Å^3
• 极化表面积: 44.48 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.119

产品相关信息

• 纯度: 95%