5-Chloro-2,4-dimethoxyaniline

C8H10ClNO2CAS 97-50-7187.62 g/mol

Open in Covalent MOL file
OOClH2N
Aryl halideEtherPrimary amine

Properties

Molecular formula
C8H10ClNO2
Molar mass
187.62 g/mol
Exact mass
187.0400 Da
Melting point
91 °C
logP
1.94Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
97-50-7
SMILES
COc1cc(OC)c(Cl)cc1N
InChIKey
OLCMNCWEUMBNIS-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 5-chloro-2,4-dimethoxy-
  • Aniline, 5-chloro-2,4-dimethoxy-
  • 5-Chloro-2,4-dimethoxybenzenamine
  • 5-Chloro-2,4-dimethoxyaminobenzene
  • ITR Amine
  • 3-Chloro-4,6-dimethoxyaniline
  • NSC 50657
  • (3-Chloro-4,6-dimethoxyphenyl)amine
  • 5-Chloro-2,4-dimethoxyphenylamine

Work with 5-Chloro-2,4-dimethoxyaniline

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

2,4-Dichloro-5-methoxybenzenamine98446-49-270 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-667 % similar 4-Chloro-2-methoxy-5-methylaniline6376-14-363 % similar 4-Chloro-3-methoxyaniline13726-14-255 % similar 3-Chloro-4-methoxyaniline5345-54-055 % similar 4-Chloro-2-methoxybenzenamine93-50-552 % similar 5-Chloro-2-methoxyaniline95-03-452 % similar 2,6-Dichloro-3,5-dimethoxyaniline872509-56-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Chloromethyl)-3,4-dimethoxypyridine169905-10-6 4-Chloro-2,5-dimethoxyaniline6358-64-1 3-(Aminomethyl)benzoic acid hydrochloride876-03-9 3'-Amino-2'-hydroxyacetophenone hydrochloride90005-55-3

Elsewhere

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