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XVO

Summary
Name:6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine
Formula:C17 H21 F2 N3
Formal charge:0
Formula weight:305.366 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine
OpenEye OEToolkits2.0.76-[2-[5-[2-(dimethylamino)ethyl]-2,3-bis(fluoranyl)phenyl]ethyl]pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Nc1cccc(CCc2cc(CCN(C)C)cc(F)c2F)n1
InChIInChI1.06InChI=1S/C17H21F2N3/c1-22(2)9-8-12-10-13(17(19)15(18)11-12)6-7-14-4-3-5-16(20)21-14/h3-5,10-11H,6-9H2,1-2H3,(H2,20,21)
InChIKeyInChI1.06BZYINMFJDLIFGN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCc1cc(F)c(F)c(CCc2cccc(N)n2)c1
SMILESCACTVS3.385CN(C)CCc1cc(F)c(F)c(CCc2cccc(N)n2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)CCc1cc(c(c(c1)F)F)CCc2cccc(n2)N
SMILESOpenEye OEToolkits2.0.7CN(C)CCc1cc(c(c(c1)F)F)CCc2cccc(n2)N

223532

數據於2024-08-07公開中

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