chempirical

2,5-Dichlorobenzeneethanamine

C8H9Cl2NCAS 56133-86-9190.07 g/mol

Open in Covalent MOL file
H2NClCl
Aryl halidePrimary amine

Properties

Molecular formula
C8H9Cl2N
Molar mass
190.07 g/mol
Exact mass
189.0112 Da
Boiling point
132–134 °C (at 10 Torr)
logP
2.49Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
56133-86-9
SMILES
NCCc1cc(Cl)ccc1Cl
InChIKey
KSKAHYBZLQUACF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl2N/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4,11H2

Weigh it out

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

Names and synonyms

6 names
  • Benzeneethanamine, 2,5-dichloro-
  • Phenethylamine, 2,5-dichloro-
  • 2,5-Dichlorophenylethylamine
  • 2,5-Dichlorophenethylamine
  • 2-(2,5-Dichlorophenyl)ethanamine
  • 2-(2,5-Dichlorophenyl)ethan-1-amine

Work with 2,5-Dichlorobenzeneethanamine

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

2,5-Dichlorobenzylamine10541-69-266 % similar 2-(2-Chlorophenyl)ethylamine13078-80-362 % similar 2,5-Dichlorobenzyl chloride2745-49-557 % similar 2,5-Dichlorobenzenemethanol34145-05-655 % similar 5-Chlorotryptamine3764-94-153 % similar 2-(4-Chlorophenyl)ethylamine156-41-252 % similar 2-(3-Chlorophenyl)ethylamine13078-79-050 % similar 2,4-Dichlorobenzenemethanamine95-00-150 % similar

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

Same formula

(αR)-2,4-Dichloro-α-methylbenzenemethanamine133773-29-2 2,6-Dichlorophenethylamine14573-23-0 1-(2,4-Dichlorophenyl)ethylamine89981-75-9

Elsewhere

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