chempirical

3,4′-Diaminodiphenyl ether

C12H12N2OCAS 2657-87-6200.24 g/mol

Open in Covalent MOL file
H2NOH2N
EtherPrimary amine

Properties

Molecular formula
C12H12N2O
Molar mass
200.24 g/mol
Exact mass
200.0950 Da
Melting point
72 °C
logP
2.64Crippen estimate
Polar surface area
61.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
2657-87-6
SMILES
Nc1ccc(Oc2cccc(N)c2)cc1
InChIKey
ZBMISJGHVWNWTE-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H2

Weigh it out

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

Names and synonyms

12 names
  • Benzenamine, 3-(4-aminophenoxy)-
  • 3-(4-Aminophenoxy)benzenamine
  • 4,3′-Diaminodiphenyl oxide
  • 3,4′-Oxydianiline
  • 3-Aminophenyl 4-aminophenyl ether
  • 3,4′-DAPE
  • 3,4′-Oxydiphenylamine
  • CLP 5050
  • 3-Amino-4′-aminodiphenyl ether
  • 3,4′-DPE
  • 3-(4-Aminophenoxy)aniline
  • 3,4′-ODA

Work with 3,4′-Diaminodiphenyl ether

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

1,3-Bis(4-aminophenoxy)benzene2479-46-183 % similar 3-Phenoxybenzenamine3586-12-780 % similar 1,3-Bis(3-aminophenoxy)benzene10526-07-579 % similar (4-Aminophenoxy)benzene139-59-368 % similar 3,3′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine]30203-11-366 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-165 % similar 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-664 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-858 % similar

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

Same formula

4,4'-Oxydianiline101-80-4 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-B]indol-1-one122852-75-9 3,3′-Diaminodiphenyl ether15268-07-2 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde22042-79-1 2-Amino-3-benzyloxypyridine24016-03-3 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone6123-63-3

Elsewhere

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