3-Chloro-2,6-dimethylaniline

C₈H₁₀ClNCAS 26829-77-6155.62 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀ClN
Molar mass: 155.62 g/mol
Exact mass: 155.0502 Da
logP: 2.54Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

26829-77-6

SMILES

CC1=C(C(=C(C=C1)Cl)C)N

InChIKey

FGMXFOTYCHZCLA-UHFFFAOYSA-N

InChI

InChI=1S/C8H10ClN/c1-5-3-4-7(9)6(2)8(5)10/h3-4H,10H2,1-2H3

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Work with 3-Chloro-2,6-dimethylaniline

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

2,6-Dichloro-3-methylaniline64063-37-259 % similar 2-Chloro-6-methylaniline87-63-857 % similar 1-Chloro-2,3-dimethylbenzene608-23-150 % similar 2,6-Xylidine87-62-750 % similar 3-Chloro-2-methylaniline87-60-548 % similar 2,4,6-Trimethyl-1,3-phenylenediamine3102-70-348 % similar 2,3,6-Trichlorotoluene2077-46-546 % similar 2,6-Dichlorotoluene118-69-446 % similar

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

Same formula

4-Chloro-N-methylbenzenemethanamine104-11-0 2-(3-Chlorophenyl)ethylamine13078-79-0 2-(2-Chlorophenyl)ethylamine13078-80-3 4-Chloro-N-ethylbenzenamine13519-75-0 2-(4-Chlorophenyl)ethylamine156-41-2 4-Chloro-2,6-dimethylaniline24596-18-7 (+)-1-(4-Chlorophenyl)ethylamine27298-99-3 (-)-1-(4-Chlorophenyl)ethylamine4187-56-8

Elsewhere

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