Etafenone
Basic information
- CAS
90-54-0- Standard SMILES
CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1- InChIKey
OEGDFSLNGABBKJ-UHFFFAOYSA-N- Molecular formula
- C21H27NO2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.2041791
Overview
Etafenone is an aromatic compound.
Names & identifiers
- Preferred name
- Etafenone
- IUPAC
- 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one
- English name
- etafenone
- Molecular formula
- C21H27NO2
- Molecular weight
- 325.449
Names & synonyms
Etafenone90-54-0EtafenonaEtafenonumDTXSID60461811-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one0I14K589E7LG 114571-(2-(2-(diethylamino)ethoxy)phenyl)-3-phenylpropan-1-one1-{2-[2-(diethylamino)ethoxy]phenyl}-3-phenylpropan-1-oneDTXCID40261812'-(2-(Diethylamino)ethoxy)-3-phenylpropiophenone
Show more names
LG11457LG-11457ω-Phenyl-2'-[2-(diethylamino)ethoxy]propiophenone2'-[2-(Diethylamino)ethoxy]-β-phenylpropiophenone1-Propanone, 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenyl-
2'-[2-(Diethylamino)ethoxy]-3-phenylpropiophenoneetaphenoneRefChem:137982C01DX072-(2-(Diethylamino)ethoxy)-3-phenylpropiophenone202-002-9EtafenonEtafenone [INN]
Database identifiers
- CAS
90-54-0- PubChem CID
- 3275
- DTXSID
DTXSID6046181- ChEMBL
CHEMBL1736151- ChEBI
CHEBI:135389- UNII
- 0I14K589E7
- EC Number
- 202-002-9
- Nikkaji
- J4.322B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 30 · bp30 264-268°
- Density
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- pka
- 9.54 · 9.54±0.25(Predicted)
- FDA UNII
- 0 I14K589E7 · 0I14K589E7
- ATC code
- 1 DX07 · C01DX07
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Additional notes
DefinitionChEBI: Etafenone is an aromatic compound.
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