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

C16H16FNO2 — CID 77003503

IUPACN-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(C)cc1OCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-11-3-8-15(12(2)18-19)16(9-11)20-10-13-4-6-14(17)7-5-13/h3-9,19H,10H2,1-2H3
InChIKeyVGXFFXZYEHCIIG-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.91
Rot. Bonds4

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

N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine (PubChem CID 77003503) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
PubChem CID77003503
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(C)cc1OCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-11-3-8-15(12(2)18-19)16(9-11)20-10-13-4-6-14(17)7-5-13/h3-9,19H,10H2,1-2H3
InChIKeyVGXFFXZYEHCIIG-UHFFFAOYSA-N
XLogP3.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.91
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

(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82003192
(NZ)-N-[1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103038202
(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114346121
(NZ)-N-[1-[2-[(2,6-difluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114930383
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103046785
4-[[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 77010442
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983455
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338
(NE)-N-[1-[2-(3-ethylsulfanylpropoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 113473665
N-[1-[4-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983367
N-[1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003640
(NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
CID 104797850

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine (CID 77003503) is N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine is CC(=NO)c1ccc(C)cc1OCc1ccc(F)cc1.
What is the InChIKey of N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The InChIKey is VGXFFXZYEHCIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-3-8-15(12(2)18-19)16(9-11)20-10-13-4-6-14(17)7-5-13/h3-9,19H,10H2,1-2H3.
What are the key properties of N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine has a molecular weight of 273.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77003503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).