chempirical

Tapentadol hydrochloride

C14H24ClNOCAS 175591-09-0257.80 g/mol

Open in Covalent MOL file
HONHCl
PhenolTertiary amine

Properties

Molecular formula
C14H24ClNO
Molar mass
257.80 g/mol
Exact mass
257.1546 Da
Melting point
209–210 °C
logP
3.51Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
175591-09-0
SMILES
CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl
InChIKey
ZELFLGGRLLOERW-YECZQDJWSA-N
InChI
InChI=1S/C14H23NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H/t11-,14+;/m0./s1

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

Names and synonyms

8 names
  • Phenol, 3-[(1R,2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride (1:1)
  • Phenol, 3-[3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride, [R-(R*,R*)]-
  • Phenol, 3-[(1R,2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride
  • Nucynta
  • Tapal
  • Zyntap
  • Tydol
  • Tapenta

Work with Tapentadol 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

Similar compounds

3-[1-(Dimethylamino)ethyl]phenol105601-04-543 % similar (S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-843 % similar Etilefrine hydrochloride943-17-942 % similar 3-Isopropylphenol618-45-142 % similar (-)-Phenylephrine hydrochloride61-76-741 % similar 1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride15308-34-641 % similar 1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride4779-94-641 % similar Hexestrol84-16-236 % similar

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

Elsewhere

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