N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine

C13H12N2O — CID 611391

IUPACN-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
SMILESNc1ccccc1C(=NO)c1ccccc1
InChIInChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(15-16)10-6-2-1-3-7-10/h1-9,16H,14H2
InChIKeySTLNPQQBAZTBIO-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.50
Rot. Bonds2

About N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine

N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine (PubChem CID 611391) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
PubChem CID611391
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
SMILESNc1ccccc1C(=NO)c1ccccc1
InChIInChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(15-16)10-6-2-1-3-7-10/h1-9,16H,14H2
InChIKeySTLNPQQBAZTBIO-UHFFFAOYSA-N
XLogP2.50
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine (CID 611391) is N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine is Nc1ccccc1C(=NO)c1ccccc1.
What is the InChIKey of N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine?
The InChIKey is STLNPQQBAZTBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(15-16)10-6-2-1-3-7-10/h1-9,16H,14H2.
What are the key properties of N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine?
N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine has a molecular weight of 212.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 611391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).