5-(Diethylamino)-2-{[(4-methylphenyl)imino]methyl}phenol
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Basic information
- CAS
23764-65-0- Standard SMILES
CCN(CC)c1ccc(C=Nc2ccc(C)cc2)c(O)c1- InChIKey
KTUXSHKIYRRKTE-UHFFFAOYSA-N- Molecular formula
- C18H22N2O
- Average molar mass
- 282.4 g/mol
Names & identifiers
- Preferred name
- 5-(Diethylamino)-2-{[(4-methylphenyl)imino]methyl}phenol
- IUPAC
- 5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol
- English name
- 5-(diethylamino)-2-{[(4-methylphenyl)imino]methyl}phenol
- Molecular formula
- C18H22N2O
- Molecular weight
- 282.38
Names & synonyms
5-(diethylamino)-2-{[(4-methylphenyl)imino]methyl}phenolMLS000547477Oprea1_321974Oprea1_480805CHEMBL3195634HMS2314M15STK035912AKOS000486542(6E)-3-(diethylamino)-6-[(4-methylanilino)methylidene]cyclohexa-2,4-dien-1-oneSMR000113583ST45033143AN-329/09986027
Show more names
Phenol, 5-(diethylamino)-2-[[(4-methylphenyl)imino]methyl]-
5-(diethylamino)-2-[(4-methylphenyl)iminomethyl]phenol5-(diethylamino)-2-{(E)-[(4-methylphenyl)imino]methyl}phenol2-[(1E)-2-(4-methylphenyl)-2-azavinyl]-5-(diethylamino)phenol
Database identifiers
- CAS
23764-65-0- ChEMBL
CHEMBL3195634- Nikkaji
- J3.018.014C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 461.3 · 461.3±45.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 8.46 · 8.46±0.35(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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