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O80

Summary
Name:N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine
Formula:C17 H17 F3 N2
Formal charge:0
Formula weight:306.325 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine
OpenEye OEToolkits1.7.6N,N-dimethyl-1-[9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c12n(c3c(c1cccc2)cc(cc3)CN(C)C)CC(F)(F)F
InChIInChI1.03InChI=1S/C17H17F3N2/c1-21(2)10-12-7-8-16-14(9-12)13-5-3-4-6-15(13)22(16)11-17(18,19)20/h3-9H,10-11H2,1-2H3
InChIKeyInChI1.03FRGFVBVPVDCZLO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)Cc1ccc2n(CC(F)(F)F)c3ccccc3c2c1
SMILESCACTVS3.385CN(C)Cc1ccc2n(CC(F)(F)F)c3ccccc3c2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F
SMILESOpenEye OEToolkits1.7.6CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F

246905

PDB entries from 2025-12-31

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