N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine

C9H13N2O2- — CID 163533278

IUPACN-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine
SMILESCNc1cc(C)c(C)cc1N([O-])O
InChIInChI=1S/C9H13N2O2/c1-6-4-8(10-3)9(11(12)13)5-7(6)2/h4-5,10,12H,1-3H3/q-1
InChIKeyOFOIMNZMYGVSJC-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.04
Rot. Bonds2

About N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine

N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine (PubChem CID 163533278) has the molecular formula C9H13N2O2- and a molecular weight of 181.21 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine
PubChem CID163533278
Molecular FormulaC9H13N2O2-
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC NameN-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine
SMILESCNc1cc(C)c(C)cc1N([O-])O
InChIInChI=1S/C9H13N2O2/c1-6-4-8(10-3)9(11(12)13)5-7(6)2/h4-5,10,12H,1-3H3/q-1
InChIKeyOFOIMNZMYGVSJC-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N,4,5-trimethylaniline
CID 143600818
N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine
CID 88538409
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235
4-chloro-N,2,5-trimethylaniline
CID 82550905
2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 126678425
2,4-dimethyl-5-(methylamino)phenol
CID 22942479
6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one
CID 21140803
2,5-dimethyl-4-(methylamino)benzoic acid
CID 153189772
3-N,5,6-trimethylpyridine-2,3-diamine
CID 4302073
N-(4-bromo-3,5-dimethylphenyl)-N-oxidohydroxylamine
CID 163605068
1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
CID 115169018
2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)aniline
CID 152754160

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine?
The IUPAC name of N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine (CID 163533278) is N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine is CNc1cc(C)c(C)cc1N([O-])O.
What is the InChIKey of N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine?
The InChIKey is OFOIMNZMYGVSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O2/c1-6-4-8(10-3)9(11(12)13)5-7(6)2/h4-5,10,12H,1-3H3/q-1.
What are the key properties of N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine?
N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine has a molecular weight of 181.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163533278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).