chempirical

Clorprenaline

C11H16ClNOCAS 3811-25-4213.70 g/mol

Open in Covalent MOL file
HNHOCl
AlcoholAryl halideSecondary amine

Properties

Molecular formula
C11H16ClNO
Molar mass
213.70 g/mol
Exact mass
213.0920 Da
Melting point
81–82 °C
logP
2.37Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
3811-25-4
SMILES
CC(C)NCC(O)c1ccccc1Cl
InChIKey
SSMSBSWKLKKXGG-UHFFFAOYSA-N
InChI
InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • Benzenemethanol, 2-chloro-α-[[(1-methylethyl)amino]methyl]-
  • o-Chloro-α-(isopropylaminomethyl)benzyl alcohol
  • (±)-Chloroprenaline
  • Isoprofenamine
  • 1-(2-Chlorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol
  • 1-(2-Chlorophenyl)-2-(propan-2-ylamino)ethanol
  • 2-Chloro-α-[(isopropylamino)methyl]benzenemethanol
  • Benzyl alcohol, o-chloro-α-[(isopropylamino)methyl]-
  • 2-Chloro-α-[[(1-methylethyl)amino]methyl]benzenemethanol
  • 1-o-Chlorophenyl-2-isopropylaminoethanol
  • Isoprophenamine
  • E 241

Work with Clorprenaline

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

N-[2-(2-Chlorophenyl)-2-hydroxyethyl]propan-2-aminium chloride6933-90-091 % similar (±)-Tulobuterol41570-61-062 % similar Tulobuterol hydrochloride56776-01-357 % similar (1S)-1-(2-Chlorophenyl)ethane-1,2-diol133082-13-056 % similar (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-250 % similar (S)-1-(2-Chlorophenyl)ethanol131864-71-650 % similar 1-(2-Chlorophenyl)ethanol13524-04-450 % similar Isoproterenol7683-59-248 % similar

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

Same formula

(S)-2-Amino-5-methoxytetralin hydrochloride58349-17-0 β-Dimethylaminopropiophenone hydrochloride879-72-1

Elsewhere

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