Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

405

Summary
Name:(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Synonyms:(S)-Norfluoxetine
Formula:C16 H16 F3 N O
Formal charge:0
Formula weight:295.3 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
OpenEye OEToolkits1.9.2(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2
InChIInChI1.03InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1
InChIKeyInChI1.03WIQRCHMSJFFONW-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
SMILESCACTVS3.385NCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C(CCN)Oc2ccc(cc2)C(F)(F)F

247947

PDB entries from 2026-01-21

PDB statisticsPDBj update infoContact PDBjnumon