Benzenemethanamine, 4-chloro-N-ethyl-3-(trifluoromethyl)-
Basic information
- CAS
90390-43-5- Standard SMILES
CCNCc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
JWVORZCVWHSYAE-UHFFFAOYSA-N- Molecular formula
- C10H11ClF3N
- Average molar mass
- 237.65 g/mol
- Monoisotopic mass
- 237.0532115
Names & identifiers
- Preferred name
- Benzenemethanamine, 4-chloro-N-ethyl-3-(trifluoromethyl)-
- IUPAC
- N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
Names & synonyms
Benzenemethanamine, 4-chloro-N-ethyl-3-(trifluoromethyl)-90390-43-5N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamineN-{[4-Chloro-3-(trifluoromethyl)phenyl]methyl}ethanamineCHEMBL1178126SCHEMBL21674174DTXSID10920407JWVORZCVWHSYAE-UHFFFAOYSA-N
Database identifiers
- CAS
90390-43-5- PubChem CID
- 485442
- DTXSID
DTXSID10920407- ChEMBL
CHEMBL1178126
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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