2-[4-(4-Chlorophenyl)phenyl]ethanamine | 910411-67-5

• 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: 2-[4-(4-Chlorophenyl)phenyl]ethanamine
• CAS: 910411-67-5
• 化学式: C₁₄H₁₄ClN
• 分子量: 231.725
• InChiKey: URYNMFCVXNXXRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-[4-(4-Chlorophenyl)phenyl]ethanamine 、 一氧化碳 、 (+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-cis-6,11-dimethyl-2,6-methano-3-benzazocin-8-yltrifluoromethanesulfonic acid ester 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Redefining the structure–activity relationships of 2,6-methano-3-benzazocines. 5. Opioid receptor binding properties of N-((4′-phenyl)-phenethyl) analogues of 8-CAC

  摘要：

  A series of aryl-containing N-monosubstituted analogues of the lead compound 8-[N-((40-phenyl)-phenethyl)]-carboxamidocyclazocine were synthesized and evaluated to probe a putative hydrophobic binding pocket of opioid receptors. Very high binding affinity to the mu opioid receptor was achieved though the N-(2-(4'-methoxybiphenyl-4-yl)ethyl) analogue of 8-CAC. High binding affinity to mu and very high binding affinity to kappa opioid receptors was observed for the N-(3-bromophenethyl) analogue of 8-CAC. High binding a. nity to all three opioid receptors were observed for the N-(2-naphthylethyl) analogue of 8-CAC. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.082