(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine

C16H16FNO3 — CID 82003192

IUPAC(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO3/c1-11(18-19)15-8-7-14(20-2)9-16(15)21-10-12-3-5-13(17)6-4-12/h3-9,19H,10H2,1-2H3/b18-11+
InChIKeySXRVWHRHVXJEBW-WOJGMQOQSA-N
MW289.31 g/mol
LogP3.61
Rot. Bonds5

About (NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine

(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine (PubChem CID 82003192) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
PubChem CID82003192
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO3/c1-11(18-19)15-8-7-14(20-2)9-16(15)21-10-12-3-5-13(17)6-4-12/h3-9,19H,10H2,1-2H3/b18-11+
InChIKeySXRVWHRHVXJEBW-WOJGMQOQSA-N
XLogP3.61
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine (CID 82003192) is (NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine is COc1ccc(/C(C)=N/O)c(OCc2ccc(F)cc2)c1.
What is the InChIKey of (NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine?
The InChIKey is SXRVWHRHVXJEBW-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-11(18-19)15-8-7-14(20-2)9-16(15)21-10-12-3-5-13(17)6-4-12/h3-9,19H,10H2,1-2H3/b18-11+.
What are the key properties of (NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine has a molecular weight of 289.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 82003192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).