chempirical

2,6-Dichlorophenethylamine

C8H9Cl2NCAS 14573-23-0190.07 g/mol

Open in Covalent MOL file
ClNH2Cl
Aryl halidePrimary amine

Properties

Molecular formula
C8H9Cl2N
Molar mass
190.07 g/mol
Exact mass
189.0112 Da
logP
2.49Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
14573-23-0
SMILES
C1=CC(=C(C(=C1)Cl)CCN)Cl
InChIKey
ACIMQXSSGMWVKG-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2

Weigh it out

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

Work with 2,6-Dichlorophenethylamine

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-(2-Chlorophenyl)ethylamine13078-80-362 % similar 2,6-Dichlorobenzeneethanol30595-79-054 % similar 2-(3-Chlorophenyl)ethylamine13078-79-048 % similar 2,6-Dichlorobenzyl chloride2014-83-748 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-947 % similar 2,6-Dichlorobenzyl alcohol15258-73-846 % similar 2,6-Dichlorobenzyl bromide20443-98-546 % similar 2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethanamine175136-76-246 % similar

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

Same formula

(αR)-2,4-Dichloro-α-methylbenzenemethanamine133773-29-2 2,5-Dichlorobenzeneethanamine56133-86-9 1-(2,4-Dichlorophenyl)ethylamine89981-75-9

Elsewhere

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