M8N

?

Summary

Name:~{N}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine
Formula:C13 H22 N2 O
Formal charge:0
Molecular weight:222.327 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H22N2O/c1-10(2)4-5-12-6-7-13(11(3)8-12)14-9-15-16/h6-8,10,14-16H,4-5,9H2,1-3H3
InChIKeyInChI1.03BNHIDDHQCYEQMT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)CCc1ccc(NCNO)c(C)c1
SMILESCACTVS3.385CC(C)CCc1ccc(NCNO)c(C)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(ccc1NCNO)CCC(C)C
SMILESOpenEye OEToolkits2.0.7Cc1cc(ccc1NCNO)CCC(C)C
170172
PDB entries from 2020-10-21