chempirical

N-[2-(2-Chlorophenyl)-2-hydroxyethyl]propan-2-aminium chloride

C11H17Cl2NOCAS 6933-90-0250.16 g/mol

Open in Covalent MOL file
HNHOClHCl
AlcoholAryl halideSecondary amine

Properties

Molecular formula
C11H17Cl2NO
Molar mass
250.16 g/mol
Exact mass
249.0687 Da
logP
2.79Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
6933-90-0
SMILES
CC(C)NCC(O)c1ccccc1Cl.Cl
InChIKey
CPCPUCRSKRHVAH-UHFFFAOYSA-N
InChI
InChI=1S/C11H16ClNO.ClH/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12;/h3-6,8,11,13-14H,7H2,1-2H3;1H

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanol, 2-chloro-α-[[(1-methylethyl)amino]methyl]-, hydrochloride (1:1)
  • Benzyl alcohol, o-chloro-α-[(isopropylamino)methyl]-, hydrochloride
  • Benzenemethanol, 2-chloro-α-[[(1-methylethyl)amino]methyl]-, hydrochloride
  • Isoprophenamine hydrochloride
  • Clorprenaline hydrochloride
  • NSC 334693
  • Chlorprenaline hydrochloride
  • 1-(2-Chlorophenyl)-2-(isopropylamino)ethanol hydrochloride

Work with N-[2-(2-Chlorophenyl)-2-hydroxyethyl]propan-2-aminium chloride

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

Clorprenaline3811-25-491 % similar Tulobuterol hydrochloride56776-01-364 % similar (±)-Tulobuterol41570-61-057 % similar (1S)-1-(2-Chlorophenyl)ethane-1,2-diol133082-13-051 % similar (±)-Isoproterenol hydrochloride51-30-951 % similar (-)-Isoproterenol hydrochloride5984-95-251 % similar (±)-Isoproterenol hydrochloride949-36-051 % similar (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-246 % similar

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

Elsewhere

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