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F0F

Summary
Name:(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide
Formula:C15 H22 N2 O
Formal charge:0
Formula weight:246.348 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(1~{R},2~{S})-2-(aminomethyl)-~{N},~{N}-diethyl-1-phenyl-cyclopropane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1
InChIKeyInChI1.03GJJFMKBJSRMPLA-HIFRSBDPSA-N
SMILES_CANONICALCACTVS3.385CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2
SMILESCACTVS3.385CCN(CC)C(=O)[C]1(C[CH]1CN)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2
SMILESOpenEye OEToolkits2.0.7CCN(CC)C(=O)C1(CC1CN)c2ccccc2

218853

PDB entries from 2024-04-24

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