chempirical

5-Chloro-2-phenoxybenzenamine

C12H10ClNOCAS 93-67-4219.67 g/mol

Open in Covalent MOL file
H2NClO
Aryl halideEtherPrimary amine

Properties

Molecular formula
C12H10ClNO
Molar mass
219.67 g/mol
Exact mass
219.0451 Da
Melting point
39–41 °C
Boiling point
190–192 °C (at 8 Torr)
logP
3.71Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
93-67-4
SMILES
Nc1cc(Cl)ccc1Oc1ccccc1
InChIKey
SXEBHIMOUHBBOS-UHFFFAOYSA-N
InChI
InChI=1S/C12H10ClNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2

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Names and synonyms

8 names
  • Benzenamine, 5-chloro-2-phenoxy-
  • Aniline, 5-chloro-2-phenoxy-
  • 5-Chloro-2-phenoxyaniline
  • 4-Chloro-2-aminodiphenyl ether
  • 2-Amino-4-chlorodiphenyl ether
  • NSC 59759
  • 5-Chloro-2-phenoxyphenylamine
  • 1-Amino-5-chloro-2-phenoxybenzene

Work with 5-Chloro-2-phenoxybenzenamine

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

5-Chloro-2-(4-chlorophenoxy)benzenamine121-27-780 % similar 2-Phenoxyaniline2688-84-858 % similar 5-Chloro-2-methoxyaniline95-03-458 % similar 2-(2,4-Dichlorophenoxy)aniline26306-64-957 % similar 2-Methoxy-5-chloroaniline hydrochloride4274-03-753 % similar 4-Chlorophenyl phenyl ether7005-72-352 % similar 4-(2,4-Dichlorophenoxy)aniline14861-17-751 % similar 4-Chloro-1,2-phenylenediamine95-83-048 % similar

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

Same formula

4-(4-Chlorophenoxy)benzenamine101-79-1 α-(4-Chlorophenyl)-2-pyridinemethanol27652-89-7 2-(4-Chlorophenoxy)benzenamine2770-11-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook