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1WE

Summary
Name:(2S)-1-phenylpropan-2-amine
Synonyms:Dextroamphetamine
D-amphetamine; Dexamphetamine; Dexedrine; Dextrostat
Formula:C9 H13 N
Formal charge:0
Formula weight:135.206 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-1-phenylpropan-2-amine
OpenEye OEToolkits1.7.6(2S)-1-phenylpropan-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(Cc1ccccc1)C
InChIInChI1.03InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
InChIKeyInChI1.03KWTSXDURSIMDCE-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.385C[C@H](N)Cc1ccccc1
SMILESCACTVS3.385C[CH](N)Cc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@@H](Cc1ccccc1)N
SMILESOpenEye OEToolkits1.7.6CC(Cc1ccccc1)N

217705

PDB entries from 2024-03-27

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