(NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine

C14H14N2O — CID 59227460

IUPAC(NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine
SMILESNc1ccccc1/C(Cc1ccccc1)=N/O
InChIInChI=1S/C14H14N2O/c15-13-9-5-4-8-12(13)14(16-17)10-11-6-2-1-3-7-11/h1-9,17H,10,15H2/b16-14+
InChIKeyKGELUCDOZINXDQ-JQIJEIRASA-N
MW226.28 g/mol
LogP2.69
Rot. Bonds3

About (NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine

(NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine (PubChem CID 59227460) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine
PubChem CID59227460
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine
SMILESNc1ccccc1/C(Cc1ccccc1)=N/O
InChIInChI=1S/C14H14N2O/c15-13-9-5-4-8-12(13)14(16-17)10-11-6-2-1-3-7-11/h1-9,17H,10,15H2/b16-14+
InChIKeyKGELUCDOZINXDQ-JQIJEIRASA-N
XLogP2.69
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.69
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 (NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine (CID 59227460) is (NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine is Nc1ccccc1/C(Cc1ccccc1)=N/O.
What is the InChIKey of (NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine?
The InChIKey is KGELUCDOZINXDQ-JQIJEIRASA-N. The full InChI is InChI=1S/C14H14N2O/c15-13-9-5-4-8-12(13)14(16-17)10-11-6-2-1-3-7-11/h1-9,17H,10,15H2/b16-14+.
What are the key properties of (NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine?
(NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine has a molecular weight of 226.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-aminophenyl)-2-phenylethylidene]hydroxylamine is sourced from PubChem (CID 59227460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).