Basic information
- CAS
90754-95-3- Standard SMILES
CCN(CC)Cc1cccc(C(F)(F)F)c1- InChIKey
YVCUDBPKSSZGCY-UHFFFAOYSA-N- Molecular formula
- C12H16F3N
- Average molar mass
- 231.26 g/mol
- Monoisotopic mass
- 231.123484
Names & identifiers
- Preferred name
- N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
- IUPAC
- N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
Names & synonyms
N-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine90754-95-3N-Ethyl-N-{[3-(trifluoromethyl)phenyl]methyl}ethanamineSCHEMBL4244205DTXSID60331322YVCUDBPKSSZGCY-UHFFFAOYSA-N
Database identifiers
- CAS
90754-95-3- PubChem CID
- 437239
- DTXSID
DTXSID60331322
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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