N,N-diethyl-1-(3-methoxyphenyl)ethanamine | 865874-19-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N,N-diethyl-1-(3-methoxyphenyl)ethanamine
• CAS: 865874-19-7
• 化学式: C₁₃H₂₁NO
• 分子量: 207.316
• InChiKey: CKALRNPPDJWSKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N-diethyl-1-(3-methoxyphenyl)ethanamine 在 氢溴酸 作用下， 生成 3-[1-(diethylamino)ethyl]phenol
  参考文献：
  名称：

  Design, synthesis, and evaluation of 2-phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors

  摘要：

  A series of 2-phenoxy-indan-1-one derivatives have been designed, synthesized, and tested as acetylcholinesterase inhibitors. The most potent compound exhibited high AChE inhibitory activity (IC50 = 50 nM), and the molecular docking study indicated that it was nicely accommodated by AChE. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.132
• 作为产物：
  描述：

  1-(1-氯乙基)-3-甲氧基苯 、 二乙胺 生成 N,N-diethyl-1-(3-methoxyphenyl)ethanamine
  参考文献：
  名称：

  Design, synthesis, and evaluation of 2-phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors

  摘要：

  A series of 2-phenoxy-indan-1-one derivatives have been designed, synthesized, and tested as acetylcholinesterase inhibitors. The most potent compound exhibited high AChE inhibitory activity (IC50 = 50 nM), and the molecular docking study indicated that it was nicely accommodated by AChE. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.132

文献信息

• AN EFFICIENT METHOD FOR PREPARATION OF (S)-3-[(1-DIMETHYL AMINO)ETHYL]-PHENYL-N-ETHYL-N-METHYL-CARBAMATE
  申请人：Emcure Pharmaceuticals Limited

  公开号：EP1856036B1

  公开（公告）日：2016-12-14
• Design, synthesis, and evaluation of 2-phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors
  作者：Rong Sheng、Xiao Lin、Jingya Li、Yanke Jiang、Zhicai Shang、Yongzhou Hu

  DOI：10.1016/j.bmcl.2005.05.132

  日期：2005.9

  A series of 2-phenoxy-indan-1-one derivatives have been designed, synthesized, and tested as acetylcholinesterase inhibitors. The most potent compound exhibited high AChE inhibitory activity (IC50 = 50 nM), and the molecular docking study indicated that it was nicely accommodated by AChE. (c) 2005 Elsevier Ltd. All rights reserved.