(3,3-diphenylpropyl)(2H3)methylamine

• ChemBase编号: 173600
• 分子式: C16H19N
• 平均质量: 225.32876
• 单一同位素质量: 225.15174961
• SMILES: C(CCNC)(c1ccccc1)c1ccccc1
• Canonical SMILES: CNCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
• InChIKey: AKEGHAUFMKCWGX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3,3-diphenylpropyl)(^2H₃)methylamine
• IUPAC传统名: (3,3-diphenylpropyl)(^2H₃)methylamine
• 别名: N-(Methyl-d3)-γ-phenyl-benzenepropanamine; (3,3-Diphenylpropyl)methylamine-d3; N-Methyl-3,3-diphenylpropylamine-d3

登记号

• PubChem SID: 164229510
• PubChem CID: 46782234

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.45636228
• LogD (pH = 7.4): 0.97006804
• Log P: 3.6856475
• 摩尔折射率: 73.3056 cm^3
• 极化性: 28.856657 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Colourless Oil

详细说明

Toronto Research Chemicals - M303712

An intermediate for the synthesis of SNRI-NMDA antagonist and neuroprotectants

参考文献

• Olney, J., et al.: Sci., 244, 1360 (1989)
• Williams, W., et al.: Mol. Pharmacol., 44, 851 (1989)