5-Chloro-2,4-dimethoxyaniline

C₈H₁₀ClNO₂CAS 97-50-7187.62 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

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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 3-Chloro-4-methoxyaniline5345-54-055 % similar 4-Chloro-2-methoxybenzenamine93-50-552 % similar 5-Chloro-2-methoxyaniline95-03-452 % similar 1,4-Dichloro-2-methoxybenzene1984-58-348 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-748 % 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

Elsewhere

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