Basic information
- CAS
15235-27-5- Standard SMILES
CCNCC(OC)c1cccc(C(F)(F)F)c1- InChIKey
JGJJZSVNDGGHNA-UHFFFAOYSA-N- Molecular formula
- C12H16F3NO
- Average molar mass
- 247.26 g/mol
- Monoisotopic mass
- 247.11839862
Names & identifiers
- Preferred name
- SK&F 40652A
- IUPAC
- N-ethyl-2-methoxy-2-[3-(trifluoromethyl)phenyl]ethanamine
- English name
- N-Ethyl-β-methoxy-3-(trifluoromethyl)phenethylamine
- Molecular formula
- C12H16F3NO
- Molecular weight
- 247.26
Names & synonyms
SK&F 40652ASkf 40652ASK&F-40652ARefChem:36397915235-27-5Benzeneethanamine, N-ethyl-beta-methoxy-3-(trifluoromethyl)-JGJJZSVNDGGHNA-UHFFFAOYSA-NDTXSID30934480SKF-40652AN-Ethyl-2-methoxy-2-[3-(trifluoromethyl)phenyl]ethan-1-amineN-Ethyl-beta-methoxy-beta-(3'-trifluoromethylphenyl)ethylamineN-Ethyl-β-methoxy-3-(trifluoromethyl)phenethylamine
Show more names
Benzeneethanamine, N-ethyl-β-methoxy-3-(trifluoromethyl)-
Database identifiers
- CAS
15235-27-5- PubChem CID
- 192913
- DTXSID
DTXSID30934480- Nikkaji
- J50.054B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 247.1 · 247.1±35.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- 8.92 · 8.92±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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