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W4J

Summary
Name:(1R)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol
Formula:C16 H24 F N O2
Formal charge:0
Formula weight:281.366 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol
OpenEye OEToolkits2.0.7(1~{R})-3-azanyl-1-[3-(cyclohexylmethoxy)-4-fluoranyl-phenyl]propan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(C(c1ccc(c(c1)OCC2CCCCC2)F)O)CN
InChIInChI1.03InChI=1S/C16H24FNO2/c17-14-7-6-13(15(19)8-9-18)10-16(14)20-11-12-4-2-1-3-5-12/h6-7,10,12,15,19H,1-5,8-9,11,18H2/t15-/m1/s1
InChIKeyInChI1.03CYDVSJHNBXQOGZ-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385NCC[C@@H](O)c1ccc(F)c(OCC2CCCCC2)c1
SMILESCACTVS3.385NCC[CH](O)c1ccc(F)c(OCC2CCCCC2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1[C@@H](CCN)O)OCC2CCCCC2)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C(CCN)O)OCC2CCCCC2)F

222415

数据于2024-07-10公开中

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