chempirical

Venlafaxine

C17H27NO2CAS 93413-69-5277.41 g/mol

Open in Covalent MOL file
ONOH
AlcoholEtherTertiary amine

Properties

Molecular formula
C17H27NO2
Molar mass
277.41 g/mol
Exact mass
277.2042 Da
Melting point
102–104 °C
logP
3.04Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
93413-69-5
SMILES
COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
InChIKey
PNVNVHUZROJLTJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3

Weigh it out

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

Names and synonyms

12 names
  • Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-
  • Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, (±)-
  • 1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol
  • (±)-Venlafaxine
  • Venlafexine
  • Venlafaxin
  • Trevilor
  • Velafax
  • Venlafaxine XR
  • Venlor
  • Kanghong
  • 1-[2-Dimethylamino(4-methoxyphenyl)ethyl] cyclohexanol

Work with Venlafaxine

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

Venlafaxine hydrochloride99300-78-493 % similar Desvenlafaxine93413-62-869 % similar 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol93413-77-567 % similar 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride130198-05-963 % similar 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol131801-69-955 % similar 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol93413-76-455 % similar Tramadol27203-92-543 % similar Tramadol hydrochloride22204-88-241 % similar

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

Same formula

Padimate O21245-02-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook