N-(N-benzylanilino)-N-oxidohydroxylamine

C13H13N2O2- — CID 22303129

IUPACN-(N-benzylanilino)-N-oxidohydroxylamine
SMILES[O-]N(O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N2O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,16H,11H2/q-1
InChIKeyAXOQTODBRFYHLW-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.80
Rot. Bonds4

About N-(N-benzylanilino)-N-oxidohydroxylamine

N-(N-benzylanilino)-N-oxidohydroxylamine (PubChem CID 22303129) has the molecular formula C13H13N2O2- and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(N-benzylanilino)-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-(N-benzylanilino)-N-oxidohydroxylamine
PubChem CID22303129
Molecular FormulaC13H13N2O2-
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC NameN-(N-benzylanilino)-N-oxidohydroxylamine
SMILES[O-]N(O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N2O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,16H,11H2/q-1
InChIKeyAXOQTODBRFYHLW-UHFFFAOYSA-N
XLogP2.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-phenylhydroxylamine
CID 10241871
N,N-dibenzylaniline
CID 139071697
benzyl(oxido)carbamic acid
CID 54711063
N-benzyl-N-methanidyl-1-phenylmethanamine
CID 20756684
N-benzyl-1-phenyl-N-silylmethanamine
CID 173404902
cyclohexane;N,N-dibenzylhydroxylamine
CID 19709160
1-benzyl-1-phenylguanidine
CID 9460
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
1-(N-benzylanilino)ethanol
CID 19010703
3-(N-benzyl-3-hydroxyanilino)phenol
CID 86210696
N,N-diphenylaniline;phenylmethanol
CID 174958363
N-benzyl-5-hydroxy-N-phenylpentanamide
CID 79194764

Frequently Asked Questions

What is the IUPAC name of N-(N-benzylanilino)-N-oxidohydroxylamine?
The IUPAC name of N-(N-benzylanilino)-N-oxidohydroxylamine (CID 22303129) is N-(N-benzylanilino)-N-oxidohydroxylamine.
What is the SMILES notation for N-(N-benzylanilino)-N-oxidohydroxylamine?
The canonical SMILES for N-(N-benzylanilino)-N-oxidohydroxylamine is [O-]N(O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(N-benzylanilino)-N-oxidohydroxylamine?
The InChIKey is AXOQTODBRFYHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,16H,11H2/q-1.
What are the key properties of N-(N-benzylanilino)-N-oxidohydroxylamine?
N-(N-benzylanilino)-N-oxidohydroxylamine has a molecular weight of 229.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-benzylanilino)-N-oxidohydroxylamine is sourced from PubChem (CID 22303129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).