chempirical

4-(4-Chlorophenoxy)benzenamine

C12H10ClNOCAS 101-79-1219.67 g/mol

Open in Covalent MOL file
H2NOCl
Aryl halideEtherPrimary amine

Properties

Molecular formula
C12H10ClNO
Molar mass
219.67 g/mol
Exact mass
219.0451 Da
Melting point
100 °C
logP
3.71Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
101-79-1
SMILES
Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIKey
YTISFYMPVILQRL-UHFFFAOYSA-N
InChI
InChI=1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2

Weigh it out

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

Names and synonyms

8 names
  • Benzenamine, 4-(4-chlorophenoxy)-
  • Aniline, p-(p-chlorophenoxy)-
  • p-(p-Chlorophenoxy)aniline
  • 4-Amino-4′-chlorodiphenyl ether
  • 4-Chloro-4′-aminodiphenyl ether
  • 4-(4-Chlorophenoxy)aniline
  • NSC 75571
  • [4-(4-Chlorophenoxy)phenyl]amine

Work with 4-(4-Chlorophenoxy)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

4,4'-Oxydianiline101-80-471 % similar 4-Chloroaniline106-47-871 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-171 % similar 4-Amino-2,4′-dichlorodiphenyl ether24900-79-667 % similar 4-(2,4-Dichlorophenoxy)aniline14861-17-763 % similar 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-663 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-863 % similar 4′-Chloro[1,1′-biphenyl]-4-amine135-68-263 % similar

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

Same formula

α-(4-Chlorophenyl)-2-pyridinemethanol27652-89-7 2-(4-Chlorophenoxy)benzenamine2770-11-8 5-Chloro-2-phenoxybenzenamine93-67-4

Elsewhere

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