G3W

2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine

Created:2018-08-23
Last modified:  2019-08-07

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count18
2D diagram of G3W

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Chemical Component Summary

Name2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine
Systematic Name (OpenEye OEToolkits)2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine
FormulaC21 H20 F N O
Molecular Weight321.388
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F
Canonical SMILESCACTVS3.385 Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F
InChIInChI1.03 InChI=1S/C21H20FNO/c22-19-10-6-17(7-11-19)14-15-23-16-18-8-12-21(13-9-18)24-20-4-2-1-3-5-20/h1-13,23H,14-16H2
InChIKeyInChI1.03 BPPBYUPUAFZCNN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 138756786