chempirical

3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine

C13H11ClFNOCAS 202197-26-0251.69 g/mol

Open in Covalent MOL file
H2NOFCl
Aryl halideEtherPrimary amine

Properties

Molecular formula
C13H11ClFNO
Molar mass
251.69 g/mol
Exact mass
251.0513 Da
logP
3.64Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
202197-26-0
SMILES
Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIKey
AYPFEYDGZDPAPE-UHFFFAOYSA-N
InChI
InChI=1S/C13H11ClFNO/c14-12-7-11(16)4-5-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzenamine, 3-chloro-4-[(3-fluorophenyl)methoxy]-
  • 3-Chloro-4-[(3-fluorobenzyl)oxy]aniline
  • [3-Chloro-4-(3-fluorobenzyloxy)phenyl]amine
  • 4-(3-Fluorobenzyloxy)-3-chloroaniline
  • 3-Chloro-4-[(3-fluorophenyl)methoxy]aniline

Work with 3-Chloro-4-[(3-fluorophenyl)methoxy]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

2-Chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene443882-99-358 % similar 3-Chloro-4-methoxyaniline5345-54-046 % similar N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamine231278-20-945 % similar 3-(Benzyloxy)aniline1484-26-044 % similar 3-Fluoroaniline372-19-043 % similar 3-Chloro-4-fluoroaniline367-21-543 % similar 4-Amino-2,4′-dichlorodiphenyl ether24900-79-642 % similar 4-[(3-Fluorophenyl)methoxy]benzaldehyde66742-57-242 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook