Basic information
- Standard SMILES
CCC(COC)Nc1nccc(-c2ccc(C(F)(F)F)cc2Cl)c1N- InChIKey
BEXLOJDZGIHZDC-UHFFFAOYSA-N- Molecular formula
- C17H19ClF3N3O
- Average molar mass
- 373.8 g/mol
Names & identifiers
- Preferred name
- 4-(2-chloro-4-trifluoromethyl-phenyl)-N2-(1-methoxymethyl-propyl)-pyridine-2,3-diamine
- IUPAC
- 4-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-(1-methoxybutan-2-yl)pyridine-2,3-diamine
Names & synonyms
4-(2-chloro-4-trifluoromethyl-phenyl)-N2-(1-methoxymethyl-propyl)-pyridine-2,3-diamineSCHEMBL6082224
Database identifiers
- PubChem CID
- 69658046
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 413
Related reactions
2 records
Compound notes
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