chempirical

4,4′-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)benzenamine]

C20H14F6N2O2CAS 94525-05-0428.33 g/mol

Open in Covalent MOL file
NH2OOH2NFFFFFF
Alkyl halideEtherPrimary amine

Properties

Molecular formula
C20H14F6N2O2
Molar mass
428.33 g/mol
Exact mass
428.0959 Da
Melting point
132–133 °C
logP
6.47Crippen estimate
Polar surface area
70.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Identifiers

CAS number
94525-05-0
SMILES
Nc1ccc(Oc2ccc(Oc3ccc(N)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1
InChIKey
LACZRKUWKHQVKS-UHFFFAOYSA-N
InChI
InChI=1S/C20H14F6N2O2/c21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26/h1-10H,27-28H2

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

Names and synonyms

5 names
  • Benzenamine, 4,4′-[1,4-phenylenebis(oxy)]bis[3-(trifluoromethyl)-
  • 1,4-Bis(4-amino-2-trifluoromethylphenoxy)benzene
  • Bis(4-amino-2-trifluoromethylphenyloxyl)benzene
  • 4,4′-Bis(4-amino-2-trifluoromethylphenoxy)phenyl
  • 1,4-Bis(2-trifluoromethyl-4-aminophenoxy)benzene

Work with 4,4′-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)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

4-Fluoro-3-(trifluoromethyl)aniline2357-47-353 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-451 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-251 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-349 % similar 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-648 % similar 4,4'-Oxydianiline101-80-448 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-148 % similar 4-Cyano-3-(trifluoromethyl)aniline654-70-647 % similar

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

Elsewhere

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