N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide

C16H16FNO2 — CID 44521138

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide
SMILESCOc1ccc(/C=[N+](\[O-])CCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-20-16-8-4-14(5-9-16)12-18(19)11-10-13-2-6-15(17)7-3-13/h2-9,12H,10-11H2,1H3/b18-12-
InChIKeyBSFPKGWCRYWHDZ-PDGQHHTCSA-N
MW273.31 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide

N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide (PubChem CID 44521138) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide
PubChem CID44521138
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide
SMILESCOc1ccc(/C=[N+](\[O-])CCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-20-16-8-4-14(5-9-16)12-18(19)11-10-13-2-6-15(17)7-3-13/h2-9,12H,10-11H2,1H3/b18-12-
InChIKeyBSFPKGWCRYWHDZ-PDGQHHTCSA-N
XLogP3.01
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde, 4-methoxy-, 2-((4-methoxyphenyl)methylene)hydrazone
CID 6861420
4-Methoxybenzaldehyde Oxime
CID 5371961
p-Anisaldehyde, oxime, (Z)-
CID 5371924
4-Methoxybenzaldoxime
CID 94712
2-[(4-Ethoxyphenyl)methylideneamino]-1-phenylethanol
CID 3881447
(5R)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71562094
N~1~,N~2~-bis[(4-methoxyphenyl)methylene]-1,2-ethanediamine
CID 224431
p-Anisaldehyde, O-methyloxime
CID 9603367
(z)-N-(t-butyl)-1-(4-methoxyphenyl)methanimine oxide
CID 10176645
N-(4-methoxybenzylidene)methanamine
CID 287072
1-Pyrroline, 2,3-bis(p-methoxyphenyl)-
CID 201293
(NE)-N-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 60150431

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide (CID 44521138) is N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide is COc1ccc(/C=[N+](\[O-])CCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide?
The InChIKey is BSFPKGWCRYWHDZ-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-20-16-8-4-14(5-9-16)12-18(19)11-10-13-2-6-15(17)7-3-13/h2-9,12H,10-11H2,1H3/b18-12-.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide?
N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide has a molecular weight of 273.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)methanimine oxide is sourced from PubChem (CID 44521138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).