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29J

Summary
Name:4-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
Formula:C16 H25 N O2
Formal charge:0
Formula weight:263.375 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
OpenEye OEToolkits1.7.64-[(1R)-2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC2(C(c1ccc(O)cc1)CN(C)C)CCCCC2
InChIInChI1.03InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/t15-/m0/s1
InChIKeyInChI1.03KYYIDSXMWOZKMP-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C[C@@H](c1ccc(O)cc1)C2(O)CCCCC2
SMILESCACTVS3.385CN(C)C[CH](c1ccc(O)cc1)C2(O)CCCCC2
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O
SMILESOpenEye OEToolkits1.7.6CN(C)CC(c1ccc(cc1)O)C2(CCCCC2)O

223532

PDB entries from 2024-08-07

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