3-Chloro-2,6-dimethylaniline

C8H10ClNCAS 26829-77-6155.62 g/mol

Open in Covalent MOL file
ClH2N
Aryl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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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