1-[2-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine | 1005763-18-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[2-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine
• CAS: 1005763-18-7
• 化学式: C₁₅H₁₅Cl₂NO
• 分子量: 296.196
• InChiKey: UOPYFDKQWMFBDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(2,4-二氯苯氧基)苯甲醛 、 二甲胺 在 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 1-[2-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine
  参考文献：
  名称：

  1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity

  摘要：

  A novel series of 1-(2-phenoxyphenyl)methanamines is disclosed, which possess selective dual 5-HT and NA reuptake pharmacology. Analogues with good human in vitro metabolic stability, hERG selectivity and passive membrane permeability were identified. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.080

文献信息

• 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity
  作者：Gavin A. Whitlock、Julian Blagg、Paul V. Fish

  DOI：10.1016/j.bmcl.2007.11.080

  日期：2008.1

  A novel series of 1-(2-phenoxyphenyl)methanamines is disclosed, which possess selective dual 5-HT and NA reuptake pharmacology. Analogues with good human in vitro metabolic stability, hERG selectivity and passive membrane permeability were identified. (c) 2007 Elsevier Ltd. All rights reserved.