2,5-Dichlorobenzylamine

C₇H₇Cl₂NCAS 10541-69-2176.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₇Cl₂N
Molar mass: 176.04 g/mol
Exact mass: 174.9956 Da
logP: 2.45Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

10541-69-2

SMILES

C1=CC(=C(C=C1Cl)CN)Cl

InChIKey

AKGJLIXNRPNPCH-UHFFFAOYSA-N

InChI

InChI=1S/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2

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

Names and synonyms

1 names

Benzenemethanamine, 2,5-dichloro-

Work with 2,5-Dichlorobenzylamine

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

2,5-Dichlorobenzeneethanamine56133-86-966 % similar 2,5-Dichlorobenzyl chloride2745-49-561 % similar 2-Chloro-5-fluorobenzenemethanamine202522-23-460 % similar 2-Chlorobenzylamine89-97-459 % similar 2,5-Dichlorobenzenemethanol34145-05-659 % similar 1,2,4-Trichlorobenzene120-82-150 % similar (4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-650 % similar 2,5-Dichloroaniline95-82-948 % similar

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

Same formula

3,4-Dichlorobenzenemethanamine102-49-8 2,6-Dichloro-3-methylaniline64063-37-2 2,4-Dichlorobenzenemethanamine95-00-1

Elsewhere

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