3-Chloro-4-methoxybenzenemethanamine

C₈H₁₀ClNOCAS 115514-77-7171.62 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₈H₁₀ClNO
Molar mass: 171.62 g/mol
Exact mass: 171.0451 Da
logP: 1.81Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

115514-77-7

SMILES

COC1=C(C=C(C=C1)CN)Cl

InChIKey

OCNMSDZALRAYEX-UHFFFAOYSA-N

InChI

InChI=1S/C8H10ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3

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

Names and synonyms

1 names

3-Chloro-4-methoxybenzylamine

Work with 3-Chloro-4-methoxybenzenemethanamine

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

3-Chloro-4-methoxybenzylamine hydrochloride41965-95-190 % similar Veratrylamine5763-61-168 % similar 3,4-Dichlorobenzenemethanamine102-49-858 % similar 3-Chloro-4-methoxyaniline5345-54-056 % similar 3-Chloro-4-methylbenzylamine67952-93-656 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-755 % similar 2-Chloro-4-fluoro-1-methoxybenzene2267-25-651 % similar 3-Methoxybenzylamine5071-96-551 % similar

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

Same formula

2-((1R)-1-Aminoethyl)-4-chlorophenol1228571-53-6 1-(2-Aminophenyl)ethanone hydrochloride25384-14-9 2-Aminoacetophenone hydrochloride5468-37-1 4-Chloro-2-methoxy-5-methylaniline6376-14-3 (βS)-β-Amino-3-chlorobenzeneethanol663611-73-2

Elsewhere

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