1-(2,4-Dichlorophenyl)ethylamine

C₈H₉Cl₂NCAS 89981-75-9190.07 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₉Cl₂N
Molar mass: 190.07 g/mol
Exact mass: 189.0112 Da
logP: 3.01Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.4% of notifiers
H314 Causes severe skin burns and eye damage97.4% of notifiers
H411 Toxic to aquatic life with long lasting effects94.9% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

89981-75-9

SMILES

CC(N)c1ccc(Cl)cc1Cl

InChIKey

OUVZHZAOWDHBOU-UHFFFAOYSA-N

InChI

InChI=1S/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3

Weigh it out

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

Names and synonyms

6 names

Benzenemethanamine, 2,4-dichloro-α-methyl-
Benzylamine, 2,4-dichloro-α-methyl-
2,4-Dichloro-α-methylbenzenemethanamine
2,4-Dichloro-α-methylbenzylamine
1-(2,4-Dichlorophenyl)ethanamine
1-(2,4-Dichlorophenyl)ethan-1-amine

Work with 1-(2,4-Dichlorophenyl)ethylamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(alphaR)-2,4-Dichloro-alpha-methylbenzenemethanamine133773-29-2Defined stereoisomer

Similar compounds

2-((1R)-1-Aminoethyl)-4-chlorophenol1228571-53-659 % similar (+)-1-(4-Chlorophenyl)ethylamine27298-99-352 % similar (-)-1-(4-Chlorophenyl)ethylamine4187-56-852 % similar 1-(4-Chlorophenyl)ethylamine6299-02-152 % similar (S)-2-Chloro-1-(2,4-dichlorophenyl)ethanol126534-31-446 % similar 1,2,4-Trichlorobenzene120-82-145 % similar 2,4-Dichloroaniline554-00-744 % similar 2,4-Dichlorotoluene95-73-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichlorophenethylamine14573-23-0 3,4-Dichlorophenethylamine21581-45-3 (2,4-Dichlorobenzyl)methylamine5013-77-4 2,5-Dichlorobenzeneethanamine56133-86-9

Elsewhere

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