(NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine

C15H14FNO2 — CID 19608702

IUPAC(NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
SMILESCOc1ccc(/C(Cc2ccccc2)=N/O)cc1F
InChIInChI=1S/C15H14FNO2/c1-19-15-8-7-12(10-13(15)16)14(17-18)9-11-5-3-2-4-6-11/h2-8,10,18H,9H2,1H3/b17-14+
InChIKeyULQNIOVTGLPBKJ-SAPNQHFASA-N
MW259.28 g/mol
LogP3.26
Rot. Bonds4

About (NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine

(NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine (PubChem CID 19608702) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
PubChem CID19608702
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
SMILESCOc1ccc(/C(Cc2ccccc2)=N/O)cc1F
InChIInChI=1S/C15H14FNO2/c1-19-15-8-7-12(10-13(15)16)14(17-18)9-11-5-3-2-4-6-11/h2-8,10,18H,9H2,1H3/b17-14+
InChIKeyULQNIOVTGLPBKJ-SAPNQHFASA-N
XLogP3.26
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.26
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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Related Compounds

4-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-2-methoxyphenol
CID 136826320
(NZ)-N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 57432829
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
(NZ)-N-[2-(3,4-dimethoxyphenyl)-1-phenylethylidene]hydroxylamine
CID 134924868
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
(S)-N-[1-(4-fluoro-3-methoxyphenyl)-2-phenylethylidene]-2-methylpropane-2-sulfinamide
CID 163473663
1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine
CID 72597447
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
2-fluoro-1-methoxy-4-(2-nitro-3-phenylprop-1-enyl)benzene
CID 77055557
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine (CID 19608702) is (NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine is COc1ccc(/C(Cc2ccccc2)=N/O)cc1F.
What is the InChIKey of (NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine?
The InChIKey is ULQNIOVTGLPBKJ-SAPNQHFASA-N. The full InChI is InChI=1S/C15H14FNO2/c1-19-15-8-7-12(10-13(15)16)14(17-18)9-11-5-3-2-4-6-11/h2-8,10,18H,9H2,1H3/b17-14+.
What are the key properties of (NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine?
(NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine has a molecular weight of 259.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(3-fluoro-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine is sourced from PubChem (CID 19608702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).