当前位置: 首页 » 资料 » 化学物质数据库 » (1S)-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1-phenylethanamine,

(1S)-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1-phenylethanamine,

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要: (1S)-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1-phenylethanamine,Canonical SMILES: CC(C1=CC=CC=C1)NCC2OCC3=CC=CC=C3CO2,Isomeric SMILES: C[C@@H](C1=CC=CC=C1)NCC2OCC3=CC=CC=C3CO2,InChI: InChI=1/C18H21NO2/c1-14(15-7-3-2-4-8-15)19-11-18-20-12-16-9-5
[Synonyms]

[Structure]
 (1S)-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1-phenylethanamine,

[ Properties Computed from Structure]
Molecular Weight283.36484 [g/mol]
Molecular FormulaC18H21NO2
XLogP3.3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass283.157229
MonoIsotopic Mass283.157229
Topological Polar Surface Area30.5
Heavy Atom Count21
Formal Charge0
Complexity288
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (1S)-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1-phenylethanamine
Canonical SMILES: CC(C1=CC=CC=C1)NCC2OCC3=CC=CC=C3CO2
Isomeric SMILES: C[C@@H](C1=CC=CC=C1)NCC2OCC3=CC=CC=C3CO2
InChI: InChI=1/C18H21NO2/c1-14(15-7-3-2-4-8-15)19-11-18-20-12-16-9-5-6-10-17
(16)13-21-18/h2-10,14,18-19H,11-13H2,1H3/t14-/m0/s1

 
本文导航:
  • (1) (1S)-N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-1-phenylethanamine,
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注