Basic information
- CAS
63978-80-3- Standard SMILES
C[NH+](C)C1CCCc2c(OCc3cccc(C(F)(F)F)c3)ccc(Cl)c21.[Br-]- InChIKey
UUDKPZFKHOHPJC-UHFFFAOYSA-N- Molecular formula
- C20H22BrClF3NO
- Average molar mass
- 464.7 g/mol
- Monoisotopic mass
- 463.05254
Names & identifiers
- Preferred name
- 1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N,N-dimethyl-5-(3-trifluoromethylbenzyloxy)-, hydrobromide
- IUPAC
- [8-chloro-5-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-dimethylazanium bromide
Names & synonyms
1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N,N-dimethyl-5-(3-trifluoromethylbenzyloxy)-, hydrobromide63978-80-3RefChem:232380
Database identifiers
- CAS
63978-80-3- PubChem CID
- 45853
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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