Basic information
- CAS
90390-42-4- Standard SMILES
CNCc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
SETNVKKNIIJSDA-UHFFFAOYSA-N- Molecular formula
- C9H9ClF3N
- Average molar mass
- 223.62 g/mol
- Monoisotopic mass
- 223.0375615
Names & identifiers
- Preferred name
- 1-(4-Chloro-3-(trifluoromethyl)phenyl)-N-methylmethanamine
- IUPAC
- 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
Names & synonyms
90390-42-41-(4-Chloro-3-(trifluoromethyl)phenyl)-N-methylmethanamineBenzenemethanamine, 4-chloro-N-methyl-3-(trifluoromethyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methylmethanamineMFCD219655531-(4-Chloro-3-(trifluoromethyl)phenyl)-N-methylmethanamine hydrochlorideSCHEMBL296838CHEMBL1178096DTXSID70920408SETNVKKNIIJSDA-UHFFFAOYSA-NSB79567EN300-1930736
Show more names
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-methanamine{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]METHYL}(METHYL)AMINE1-(4-Chloro-3-(trifluoromethyl)phenyl)-N-methylmethanamine; 95%
Database identifiers
- CAS
90390-42-4- PubChem CID
- 485441
- DTXSID
DTXSID70920408- ChEMBL
CHEMBL1178096
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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