Basic information
- CAS
94593-42-7- Standard SMILES
CCN(OC(=O)c1cccc2ccccc12)C(C)Cc1cccc(C(F)(F)F)c1- InChIKey
ZFRJVJKCYRTMCB-UHFFFAOYSA-N- Molecular formula
- C23H22F3NO2
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.16026343
Names & identifiers
- Preferred name
- Benzeneethanamine, N-ethyl-alpha-methyl-N-((1-naphthalenylcarbonyl)oxy)-3-(trifluoromethyl)-
- IUPAC
- [ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] naphthalene-1-carboxylate
Names & synonyms
N-Ethyl-alpha-methyl-N-((1-naphthalenylcarbonyl)oxy)-3-(trifluoromethyl)benzeneethanamine94593-42-7Benzeneethanamine, N-ethyl-alpha-methyl-N-((1-naphthalenylcarbonyl)oxy)-3-(trifluoromethyl)-RefChem:324648DTXSID30915416[(Ethyl{1-[3-(trifluoromethyl)phenyl]propan-2-yl}amino)oxy](naphthalen-1-yl)methanone
Database identifiers
- CAS
94593-42-7- PubChem CID
- 13394792
- DTXSID
DTXSID30915416
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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