chempirical

(1S,2R)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride

C10H16ClNOCAS 24221-86-1201.69 g/mol

Open in Covalent MOL file
NHHOHCl
AlcoholSecondary amine

Properties

Molecular formula
C10H16ClNO
Molar mass
201.69 g/mol
Exact mass
201.0920 Da
Melting point
181–182 °C
logP
1.75Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
R, Sin SMILES atom order

Hazards

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

Identifiers

CAS number
24221-86-1
SMILES
CN[C@H](C)[C@@H](O)c1ccccc1.Cl
InChIKey
BALXUFOVQVENIU-GHXDPTCOSA-N
InChI
InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10-;/m1./s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, hydrochloride, (alphaS)-
  • (+)-Ephedrine hydrochloride
  • Benzenemethanol, α-[(1R)-1-(methylamino)ethyl]-, hydrochloride (1:1), (αS)-
  • Ephedrine, hydrochloride, (+)-
  • Benzenemethanol, α-[1-(methylamino)ethyl]-, hydrochloride, [S-(R*,S*)]-
  • Benzenemethanol, α-[(1R)-1-(methylamino)ethyl]-, hydrochloride, (αS)-
  • D-(+)-Ephedrine hydrochloride
  • d-Ephedrine hydrochloride
  • CPDD 0048
  • (1S,2R)-(+)-Ephedrine hydrochloride
  • (1S,2R)-Ephedrine hydrochloride
  • (1S,2R)-(+)-Ephedrinium hydrochloride
  • (+)-(1S,2R)-Ephedrine hydrochloride

Work with (1S,2R)-(+)-2-(Methylamino)-1-phenylpropan-1-ol 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.

Pseudoephedrine90-82-4Free base, diastereomer Ephedrine299-42-3Free base, enantiomer (-)-Pseudoephedrine321-97-1Free base, diastereomer (-)-Ephedrine hydrochloride50-98-6Enantiomer Dl-Ephedrine hydrochloride134-71-4Enantiomer Pseudoephedrine hydrochloride345-78-8Diastereomer (-)-Ephedrine sulfate134-72-5Salt, enantiomer

Similar compounds

(±)-Hydroxyephedrine365-26-462 % similar Phenylpropanolamine hydrochloride154-41-654 % similar D-(-)-Norephedrine hydrochloride3198-15-054 % similar [S-(R*,S*)]-α-(1-Aminoethyl)benzyl alcohol hydrochloride40626-29-754 % similar (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-350 % similar (S,S)-(-)-Hydrobenzoin2325-10-248 % similar (R,R)-Hydrobenzoin52340-78-048 % similar Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-148 % similar

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

Same formula

Edrophonium chloride116-38-1 Hordenine hydrochloride6027-23-2 6-Aminothymol hydrochloride6321-11-5

Elsewhere

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