2-((p-Fluorobenzylidene)amino)-3-phenyl-1-propanol
Basic information
- CAS
19064-57-4- Standard SMILES
OCC(Cc1ccccc1)N=Cc1ccc(F)cc1- InChIKey
MNTNYBDTGMBVFB-UHFFFAOYSA-N- Molecular formula
- C16H16FNO
- Average molar mass
- 257.3 g/mol
- Monoisotopic mass
- 257.1215923
Names & identifiers
- Preferred name
- 2-((p-Fluorobenzylidene)amino)-3-phenyl-1-propanol
- IUPAC
- 2-[(4-fluorophenyl)methylideneamino]-3-phenylpropan-1-ol
- English name
- 2-[(4-fluorophenyl)methylideneamino]-3-phenyl-propan-1-ol
- Molecular formula
- C16H16FNO
- Molecular weight
- 257.3
Names & synonyms
19064-57-42-((p-Fluorobenzylidene)amino)-3-phenyl-1-propanol2-[(4-fluorophenyl)methylideneamino]-3-phenylpropan-1-olBRN 39612191-Propanol, 2-((p-fluorobenzylidene)amino)-3-phenyl-2-[(4-FLUOROPHENYL)METHYLIDENEAMINO]-3-PHENYL-PROPAN-1-OL
Database identifiers
- CAS
19064-57-4- PubChem CID
- 208995
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 396.973 · 396.973±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.081 · 1.081±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.651 · 14.651±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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