(6-Methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)-(2-trifluoromethyl-phenyl)-amine
Basic information
- CAS
848668-87-1- Standard SMILES
COc1ccc2c(c1)CCCC2=Nc1ccccc1C(F)(F)F- InChIKey
QLVSBOUXFHTQHA-UHFFFAOYSA-N- Molecular formula
- C18H16F3NO
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 319.11839862
Names & identifiers
- Preferred name
- (6-Methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)-(2-trifluoromethyl-phenyl)-amine
- IUPAC
- 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
- English name
- (6-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-(2-trifluoromethyl-phenyl)-amine
- Molecular formula
- C18H16F3NO
- Molecular weight
- 319.32
Names & synonyms
(6-methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)-(2-trifluoromethyl-phenyl)-amineSCHEMBL7268519SCHEMBL7268525QLVSBOUXFHTQHA-UHFFFAOYSA-NCCG-53483AKOS024343630NS00096787SR-01000642646-1Benzenamine, N-(3,4-dihydro-6-methoxy-1(2H)-naphthalenylidene)-2-(trifluoromethyl)-
Database identifiers
- CAS
848668-87-1- PubChem CID
- 2818136
- EC Number
- 167-632-8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 404.217 · 404.217±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.222 · 1.222±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.391 · 5.391±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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