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YP4

Summary
Name:N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
Formula:C22 H22 F3 N
Formal charge:0
Formula weight:357.412 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
OpenEye OEToolkits2.0.7~{N}-[(1~{R})-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cccc(CCCNC(C)c2cccc3ccccc32)c1
InChIInChI1.03InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
InChIKeyInChI1.03VDHAWDNDOKGFTD-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c2cccc3ccccc23
SMILESCACTVS3.385C[CH](NCCCc1cccc(c1)C(F)(F)F)c2cccc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F

218853

PDB entries from 2024-04-24

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