3-<2-(4-aminophenyl)ethyl>benzenamine dihydrochloride | 96616-18-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-<2-(4-aminophenyl)ethyl>benzenamine dihydrochloride
• 英文别名: 3-[2-(4-aminophenyl)ethyl]benzenamine dihydrochloride
• CAS: 96616-18-1
• 化学式: C₁₄H₁₆N₂*2ClH
• 分子量: 285.216
• InChiKey: DOKNOXXDPFQLLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.06
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  52.04
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  二聚氰胺 、 丙酮 、 3-<2-(4-aminophenyl)ethyl>benzenamine dihydrochloride 在 盐酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 以44%的产率得到1-(3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenethyl)phenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
  参考文献：
  名称：

  Novel bis[1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamines] as antitrypanosomal agents

  摘要：

  A series of novel 1,1'-(4,1-phenylene)bis [1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamines] was prepared and evaluated for activity against Trypanosoma rhodesiense in mice. The importance of the bis structure and the nature of the spacer between the two phenyl rings for optimal activity have been revealed. The potent parenteral activity of several analogues within this series as well as preliminary indication of oral activity lends encouragement to further development of this structural class.

  DOI：

  10.1021/jm00149a032