XVZ

6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine

Created: 2022-12-13
Last modified:  2023-10-11

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count41
Aromatic Bond Count12
2D diagram of XVZ

Chemical Component Summary

Name6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)6-[2-[5-(2-azanylethyl)-2,3-bis(fluoranyl)phenyl]ethyl]-4-methyl-pyridin-2-amine
FormulaC16 H19 F2 N3
Molecular Weight291.339
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Cc1cc(CCc2cc(CCN)cc(F)c2F)nc(N)c1
SMILESCACTVS3.385Cc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1
SMILESOpenEye OEToolkits2.0.7Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN
Canonical SMILESCACTVS3.385 Cc1cc(N)nc(CCc2cc(CCN)cc(F)c2F)c1
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN
InChIInChI1.06 InChI=1S/C16H19F2N3/c1-10-6-13(21-15(20)7-10)3-2-12-8-11(4-5-19)9-14(17)16(12)18/h6-9H,2-5,19H2,1H3,(H2,20,21)
InChIKeyInChI1.06 OQUWRANPJSGUGT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 168654809