Basic information
- Standard SMILES
CN(CCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1)C(=N)N- InChIKey
LBMPRHLMADSISM-UHFFFAOYSA-N- Molecular formula
- C17H17ClF3N3O
- Average molar mass
- 371.8 g/mol
- Monoisotopic mass
- 371.1012244
Names & identifiers
- Preferred name
- N-[2-(4-{[4-Chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)ethyl]-N-methylguanidine
- IUPAC
- 1-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethyl]-1-methylguanidine
Names & synonyms
N-[2-(4-{[4-Chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)ethyl]-N-methylguanidineN-[2-(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl]ethyl]-N-methylguanidineSCHEMBL9106537N-[2-(4-{[4-chloro-3-(trifluoromethyl)phenyl]oxy}phenyl) ethyl]-N-methylguanidine
Database identifiers
- PubChem CID
- 67775141
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 441
Related reactions
8 records
Compound notes
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