chempirical

Propafenone

C21H27NO3CAS 54063-53-5341.45 g/mol

Open in Covalent MOL file
HNHOOO
AlcoholEtherKetoneSecondary amine

Properties

Molecular formula
C21H27NO3
Molar mass
341.45 g/mol
Exact mass
341.1991 Da
logP
3.24Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
11

Identifiers

CAS number
54063-53-5
SMILES
CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
InChIKey
JWHAUXFOSRPERK-UHFFFAOYSA-N
InChI
InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Propanone, 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-
  • 1-[2-[2-Hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-1-propanone
  • (±)-Propafenone
  • (RS)-Propafenone
  • SA 79
  • GP 382
  • Polfenon
  • GPV 001

Work with Propafenone

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

Propafenone hydrochloride34183-22-794 % similar 1-[2-(2-Oxiranylmethoxy)phenyl]-3-phenyl-1-propanone22525-95-757 % similar Levobunolol47141-42-448 % similar 2′-Hydroxydihydrochalcone3516-95-842 % similar Chromanone491-37-241 % similar Propranolol525-66-638 % similar 2-(Benzyloxy)benzoic acid14389-86-738 % similar Acebutolol37517-30-937 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook