3-Chloro-4-methoxybenzylamine hydrochloride

C8H11Cl2NOCAS 41965-95-1208.08 g/mol

Open in Covalent MOL file
ONH2ClHCl
Aryl halideEtherPrimary amine

Properties

Molecular formula
C8H11Cl2NO
Molar mass
208.08 g/mol
Exact mass
207.0218 Da
Melting point
231–234 °C
logP
2.23Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
41965-95-1
SMILES
COc1ccc(CN)cc1Cl.Cl
InChIKey
IKWWOZCEHOYKAO-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClNO.ClH/c1-11-8-3-2-6(5-10)4-7(8)9;/h2-4H,5,10H2,1H3;1H

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Names and synonyms

2 names
  • Benzenemethanamine, 3-chloro-4-methoxy-, hydrochloride (1:1)
  • Benzenemethanamine, 3-chloro-4-methoxy-, hydrochloride

Work with 3-Chloro-4-methoxybenzylamine hydrochloride

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.

3-Chloro-4-methoxybenzenemethanamine115514-77-7Free base

Similar compounds

Veratrylamine5763-61-167 % similar 3-Methoxy-4-hydroxybenzylamine hydrochloride7149-10-259 % similar 3,4-Dichlorobenzenemethanamine102-49-853 % similar 3-Chloro-4-methoxyaniline5345-54-051 % similar 3-Chloro-4-methylbenzylamine67952-93-651 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-750 % similar 2,4-Dichloroanisole553-82-250 % similar 2-Chloro-4-fluoro-1-methoxybenzene2267-25-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloromethyl-4-methoxy-3-methylpyridine hydrochloride124473-12-7 Dichlormid37764-25-3

Elsewhere

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