bis(2H3)methyl(2-methyl-3-{tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)amine

• ChemBase编号: 163130
• 分子式: C21H27N
• 平均质量: 293.44578
• 单一同位素质量: 293.21434987
• SMILES: C1Cc2c(C(c3c1cccc3)CC(CN(C)C)C)cccc2
• Canonical SMILES: CN(CC(CC1c2ccccc2CCc2c1cccc2)C)C
• InChI: InChI=1S/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3
• InChIKey: ALELTFCQZDXAMQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(^2H₃)methyl(2-methyl-3-{tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)amine
• IUPAC传统名: bis(^2H₃)methyl(2-methyl-3-{tricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)amine
• 别名: 10,11-Dihydro-N,N,β-trimethyl-5H-dibenzo[a,d]cycloheptene-5-propanamine-d6; 10,11-Dihydro-N,N,β-trimethyl-5H-dibenzo[a,d]cycloheptene-5-propylamine-d6; Butriptylene-d6; Butriptyline-d6

登记号

• PubChem SID: 162257265
• PubChem CID: 46780922

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.9809247
• LogD (pH = 7.4): 2.886312
• Log P: 5.441354
• 摩尔折射率: 95.9531 cm^3
• 极化性: 37.176727 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Methanol
• 外观: Oil
• 沸点: 180-185°C

详细说明

Toronto Research Chemicals - B690052

Antidepressant.

参考文献

• Voith, H., et al.: Arch. Int. Pharmacodyn. Ther., 182, 318 (1968)
• Cameron, et al.: Arzneim.-Forsch., 24, 93 (1968)