(NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine

C14H13NO2 — CID 5331442

IUPAC(NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H13NO2/c16-15-10-12-6-8-14(9-7-12)17-11-13-4-2-1-3-5-13/h1-10,16H,11H2/b15-10+
InChIKeySLNVTNZIMUJWQW-XNTDXEJSSA-N
MW227.26 g/mol
LogP3.07
Rot. Bonds4

About (NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine (PubChem CID 5331442) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine
PubChem CID5331442
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H13NO2/c16-15-10-12-6-8-14(9-7-12)17-11-13-4-2-1-3-5-13/h1-10,16H,11H2/b15-10+
InChIKeySLNVTNZIMUJWQW-XNTDXEJSSA-N
XLogP3.07
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine (CID 5331442) is (NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine is O/N=C/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is SLNVTNZIMUJWQW-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13NO2/c16-15-10-12-6-8-14(9-7-12)17-11-13-4-2-1-3-5-13/h1-10,16H,11H2/b15-10+.
What are the key properties of (NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 227.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-phenylmethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5331442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).