chempirical

Selegiline

C13H17NCAS 14611-51-9187.29 g/mol

Open in Covalent MOL file
N
AlkyneTertiary amine

Properties

Molecular formula
C13H17N
Molar mass
187.29 g/mol
Exact mass
187.1361 Da
Melting point
137.5–139 °C
Boiling point
92–93 °C (at 0.8 Torr)
logP
2.18Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
14611-51-9
SMILES
C#CCN(C)[C@H](C)Cc1ccccc1
InChIKey
MEZLKOACVSPNER-GFCCVEGCSA-N
InChI
InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1

Weigh it out

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

Names and synonyms

18 names · show all
  • Benzeneethanamine, N,α-dimethyl-N-2-propyn-1-yl-, (αR)-
  • Phenethylamine, N,α-dimethyl-N-2-propynyl-, L-(-)-
  • Benzeneethanamine, N,α-dimethyl-N-2-propynyl-, (R)-
  • Benzeneethanamine, N,α-dimethyl-N-2-propynyl-, (αR)-
  • (αR)-N,α-Dimethyl-N-2-propyn-1-ylbenzeneethanamine
  • (-)-Deprenyl
  • (-)-Deprenil
  • (R)-(-)-Deprenyl
  • l-Deprenyl
  • (-)-Selegiline
  • Anipryl
  • Selgene
  • (R)-Selegiline
  • Zelapar
  • Emsam TTS
  • Selegina
  • Emsam
  • (R)-Deprenyl

Work with Selegiline

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

Selegiline hydrochloride14611-52-091 % similar Pargyline hydrochloride306-07-046 % similar Isobutylbenzene538-93-240 % similar 5-Phenyl-1-pentyne1823-14-938 % similar 1-Phenyl-2-propanol14898-87-437 % similar (S)-1-Phenyl-2-propanol1517-68-637 % similar 2-Bromo-1-phenylpropane2114-39-837 % similar Amphetamine300-62-937 % similar

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

Same formula

1,2,3,4,5,6,7,8-Octahydroacridine1658-08-8 1-Butyl-2-methyl-1H-indole42951-35-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook