((1S,2R)-2-methoxy-1-(o-tolyloxy)-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine | 1096480-61-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: ((1S,2R)-2-methoxy-1-(o-tolyloxy)-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
• 英文别名: 1-[(1S,2R)-2-methoxy-1-(2-methylphenoxy)-1,3-dihydroinden-2-yl]-N-methylmethanamine
• CAS: 1096480-61-3
• 化学式: C₁₉H₂₃NO₂
• 分子量: 297.397
• InChiKey: IFOBTLHRUXGTFC-RBUKOAKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  生成 ((1S,2R)-2-methoxy-1-(o-tolyloxy)-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
  参考文献：
  名称：

  Synthesis and structure–activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with improved pharmaceutical characteristics

  摘要：

  The design synthesis and SAR of a series of chiral ring-constrained norepinephrine reuptake inhibitors with improved physicochemical properties is described. Typical compounds are potent (IC(50)s < 10 nM), selective against the other monoamine transporters, weak CYP2D6 inhibitors (IC(50)s > 1 mu M) and stable to oxidation by human liver microsomes. In addition, the compounds exhibit a favorable polarity pro. le. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.013