chempirical

4-Fluoro-N-[[4-(phenylmethoxy)phenyl]methylene]benzenamine

C20H16FNOCAS 70627-52-0305.35 g/mol

Open in Covalent MOL file
FNO
Aryl halideEtherImine

Properties

Molecular formula
C20H16FNO
Molar mass
305.35 g/mol
Exact mass
305.1216 Da
Melting point
132–133 °C
logP
5.16Crippen estimate
Polar surface area
21.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
70627-52-0
SMILES
Fc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIKey
IWNBEFDVKWCBFY-UHFFFAOYSA-N
InChI
InChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2

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Names and synonyms

4 names
  • Benzenamine, 4-fluoro-N-[[4-(phenylmethoxy)phenyl]methylene]-
  • 4-Benzyloxybenzylidene 4-fluoroaniline
  • N-(4-(Benzyloxy)benzylidene)-4-fluoroaniline
  • 1-(4-(Benzyloxy)phenyl)-N-(4-fluorophenyl)methanimine

Work with 4-Fluoro-N-[[4-(phenylmethoxy)phenyl]methylene]benzenamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Fluoro-4-(phenylmethoxy)benzene370-78-567 % similar 4-[(4-Fluorophenyl)methoxy]benzaldehyde56442-17-253 % similar 4-[[(4-Fluorophenyl)imino]methyl]phenol3382-63-650 % similar 4-(Benzyloxy)benzaldehyde4397-53-950 % similar Hydroquinone dibenzyl ether621-91-050 % similar 4′-Ethoxybenzylidene-4-butylaniline29743-08-647 % similar 4-[(3-Fluorophenyl)methoxy]benzaldehyde66742-57-247 % similar N-(4-Methoxybenzylidene)aniline836-41-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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