5-(Diethylamino)-2-{[(3-fluoro-4-methylphenyl)imino]methyl}phenol
Basic information
- CAS
303760-27-2- Standard SMILES
CCN(CC)c1ccc(C=Nc2ccc(C)c(F)c2)c(O)c1- InChIKey
OCPVKLLLSYVJJJ-UHFFFAOYSA-N- Molecular formula
- C18H21FN2O
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.16379146
Names & identifiers
- Preferred name
- 5-(Diethylamino)-2-{[(3-fluoro-4-methylphenyl)imino]methyl}phenol
- IUPAC
- 5-(diethylamino)-2-[(3-fluoro-4-methylphenyl)iminomethyl]phenol
- English name
- 5-(diethylamino)-2-{[(3-fluoro-4-methylphenyl)imino]methyl}phenol
- Molecular formula
- C18H21FN2O
- Molecular weight
- 300.37
Names & synonyms
5-(diethylamino)-2-{[(3-fluoro-4-methylphenyl)imino]methyl}phenolCDS1_004066CBMicro_017570Oprea1_461101Oprea1_664749DivK1c_005106CCG-6123STK035329AKOS000484378(6E)-3-(diethylamino)-6-[(3-fluoro-4-methylanilino)methylidene]cyclohexa-2,4-dien-1-oneBIM-0017434.P001AN-329/10730019
Show more names
Phenol, 5-(diethylamino)-2-[[(3-fluoro-4-methylphenyl)imino]methyl]-
5-(diethylamino)-2-[(3-fluoro-4-methylphenyl)iminomethyl]phenol5-(diethylamino)-2-{(E)-[(3-fluoro-4-methylphenyl)imino]methyl}phenol5-DIETHYLAMINO-2-((3-FLUORO-4-METHYL-PHENYLIMINO)-METHYL)-PHENOL
Database identifiers
- CAS
303760-27-2- PubChem CID
- 794862
- EC Number
- 168-068-5
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 472.53 · 472.530±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.079 · 1.079±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.798 · 6.798±0.40(predicted)
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Compound notes
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