Benzenemethanamine, 4-chloro-N-propyl-3-(trifluoromethyl)-
Basic information
- CAS
90390-44-6- Standard SMILES
CCCNCc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
PTLXXVBCRKWKNU-UHFFFAOYSA-N- Molecular formula
- C11H13ClF3N
- Average molar mass
- 251.67 g/mol
- Monoisotopic mass
- 251.0688616
Names & identifiers
- Preferred name
- Benzenemethanamine, 4-chloro-N-propyl-3-(trifluoromethyl)-
- IUPAC
- N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]propan-1-amine
Names & synonyms
Benzenemethanamine, 4-chloro-N-propyl-3-(trifluoromethyl)-90390-44-6N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]propan-1-amineN-{[4-Chloro-3-(trifluoromethyl)phenyl]methyl}propan-1-amineCHEMBL1178148DTXSID50920406PTLXXVBCRKWKNU-UHFFFAOYSA-N
Database identifiers
- CAS
90390-44-6- PubChem CID
- 485443
- DTXSID
DTXSID50920406- ChEMBL
CHEMBL1178148
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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