(1S,2R)-1-(4-fluoro-naphthalen-1-yloxy)-1-(3-fluoro-phenyl)-3-methylamino-propan-2-ol hydrochloride | 693221-24-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (1S,2R)-1-(4-fluoro-naphthalen-1-yloxy)-1-(3-fluoro-phenyl)-3-methylamino-propan-2-ol hydrochloride
• 英文别名: (1S,2R)-1-(4-fluoronaphthalen-1-yl)oxy-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride
• CAS: 693221-24-8
• 化学式: C₂₀H₁₉F₂NO₂*ClH
• 分子量: 379.834
• InChiKey: WLTNHRPGFLEZBF-VDWUQFQWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.5
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake
  申请人：Boulet Louis Serge

  公开号：US20060173035A1

  公开（公告）日：2006-08-03

  There is provided a compound of formula (I) wherein A is selected from —O— and —S—; X is selected from phenyl optionally substituted with up to 5 substituents each independently selected from halo, C 1 -C 4 alkyl and C 1 -C 4 alkoxy, thienyl optionally substituted with up to 3 substituents each independently selected from halo and C 1 -C 4 alkyl, and C 2 -C 8 alkyl, C 2 -C 8 alkenyl, C 3 -C 8 cycloalkyl and C 4 -C 8 cycloalkylalkyl, each of which may be optionally substituted with up to 3 substituents each independently selected from halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2, —CF 3 , —CN and —CONH 2 ; Y is selected from phenyl, naphthyl, dihydrobenzothienyl, benzothiazolyl, benzoisothiazolyl, quinolyl, isoquinolyl, naphthyridyl, thienopyridyl, indanyl, 1,3-benzodioxolyl, benzothienyl, indolyl and benzofuranyl, each of which may be optionally substituted with up to 4 or, where possible, up to 5 substituents each independently selected from halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2, nitro, acetyl, —CF 3 , —SCF 3 and cyano; and when Y is indolyl it may be substituted or further substituted by an N-substituent selected from C 1 -C 4 alkyl; Z is selected from OR 3 or F, wherein R 3 is selected from H, C 1 -C 6 alkyl and phenyl C 1 -C 6 alkyl; R 1 and R 2 are each independently H or C 1 -C 4 alkyl; and pharmaceutically acceptable salts thereofwith the proviso that when Y is optionally substituted phenyl or optionally substituted 1,3-benzodioxolyl and Z is OR 3 and X is optionally substituted phenyl then A is —S—.
• US7410996B2
  申请人：——

  公开号：US7410996B2

  公开（公告）日：2008-08-12