Basic information
- Standard SMILES
COc1ccc(CNc2nc(C(F)(F)F)ccc2N)cc1- InChIKey
QZHJRELNTRBCPO-UHFFFAOYSA-N- Molecular formula
- C14H14F3N3O
- Average molar mass
- 297.28 g/mol
- Monoisotopic mass
- 297.10889656
Names & identifiers
- Preferred name
- N2-(4-Methoxy-benzyl)-6-trifluoromethyl-pyridine-2,3-diamine
- IUPAC
- 2-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine
Names & synonyms
N2-(4-Methoxy-benzyl)-6-trifluoromethyl-pyridine-2,3-diamine
Database identifiers
- PubChem CID
- 11630767
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Related reactions
6 records
Compound notes
Loading…