(αR)-2,4-Dichloro-α-methylbenzenemethanamine

C₈H₉Cl₂NCAS 133773-29-2190.07 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
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

133773-29-2

SMILES

C[C@@H](N)c1ccc(Cl)cc1Cl

InChIKey

OUVZHZAOWDHBOU-RXMQYKEDSA-N

InChI

InChI=1S/C8H9Cl2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m1/s1

Weigh it out

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

Names and synonyms

9 names

Benzenemethanamine, 2,4-dichloro-α-methyl-, (αR)-
Benzenemethanamine, 2,4-dichloro-α-methyl-, (R)-
(+)-1-(2,4-Dichlorophenyl)ethylamine
(R)-2,4-Dichloro-α-methylbenzylamine
[(R)-1-(2,4-Dichlorophenyl)ethyl]amine
(R)-1-(2,4-Dichlorophenyl)ethan-1-amine
(R)-1-(2,4-Dichlorophenyl)ethanamine
(1R)-1-(2,4-Dichlorophenyl)ethanamine
(1R)-1-(2,4-Dichlorophenyl)ethan-1-amine

Work with (αR)-2,4-Dichloro-α-methylbenzenemethanamine

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-((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 2,5-Dichlorobenzeneethanamine56133-86-9 1-(2,4-Dichlorophenyl)ethylamine89981-75-9

Elsewhere

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