(1R)-6',7'-dimethoxy-1'-methyl-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline] hydrochloride

• ChemBase编号: 184522
• 分子式: C16H24ClNO2
• 平均质量: 297.82026
• 单一同位素质量: 297.14955669
• SMILES: c12c(cc(c(c1)OC)OC)C(NCC12CCCC1)C.Cl
• Canonical SMILES: COc1cc2c(cc1OC)C(C)NCC12CCCC1.Cl
• InChI: InChI=1S/C16H23NO2.ClH/c1-11-12-8-14(18-2)15(19-3)9-13(12)16(10-17-11)6-4-5-7-16;/h8-9,11,17H,4-7,10H2,1-3H3;1H
• InChIKey: QREPYPJUIPHSPR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1R)-6',7'-dimethoxy-1'-methyl-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline] hydrochloride
• IUPAC传统名: (1R)-6',7'-dimethoxy-1'-methyl-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline] hydrochloride

登记号

• PubChem SID: 164240432
• PubChem CID: 2836246

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.28655446
• LogD (pH = 7.4): 0.9902037
• Log P: 2.8411007
• 摩尔折射率: 76.2303 cm^3
• 极化性: 30.083616 Å^3
• 极化表面积: 30.49 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: HCl
• 分类: Derivatives & analogs of Natural Compounds