chempirical

4-Chloro-2-methoxy-5-methylaniline

C8H10ClNOCAS 6376-14-3171.62 g/mol

Open in Covalent MOL file
OClH2N
Aryl halideEtherPrimary amine

Properties

Molecular formula
C8H10ClNO
Molar mass
171.62 g/mol
Exact mass
171.0451 Da
Melting point
106 °C
logP
2.24Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
6376-14-3
SMILES
COc1cc(Cl)c(C)cc1N
InChIKey
XBAPOWUMJRIKAV-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClNO/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,10H2,1-2H3

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

Names and synonyms

5 names
  • Benzenamine, 4-chloro-2-methoxy-5-methyl-
  • o-Anisidine, 4-chloro-5-methyl-
  • 4-Chloro-2-methoxy-5-methylbenzenamine
  • 2-Methoxy-4-chloro-5-methylaniline
  • (4-Chloro-2-methoxy-5-methylphenyl)amine

Work with 4-Chloro-2-methoxy-5-methylaniline

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-Chloro-2,5-dimethoxyaniline6358-64-169 % similar 5-Chloro-2,4-dimethoxyaniline97-50-763 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-654 % similar 2,4-Dichloro-5-methoxybenzenamine98446-49-253 % similar 2-Chloro-5-methyl-1,4-benzenediamine5307-03-952 % similar Cresidinesulfonic acid6471-78-949 % similar 1-Chloro-4-methoxy-2-methylbenzene13334-71-948 % similar 2,5-Dichloro-P-xylene1124-05-648 % similar

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

Same formula

3-Chloro-4-methoxybenzenemethanamine115514-77-7 2-((1R)-1-Aminoethyl)-4-chlorophenol1228571-53-6 1-(2-Aminophenyl)ethanone hydrochloride25384-14-9 2-Aminoacetophenone hydrochloride5468-37-1 (βS)-β-Amino-3-chlorobenzeneethanol663611-73-2

Elsewhere

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