Basic information
- Standard SMILES
Nc1cc(F)ccc1NCc1ccc(Cl)cc1- InChIKey
NPJHGRXIUSBHEO-UHFFFAOYSA-N- Molecular formula
- C13H12ClFN2
- Average molar mass
- 250.7 g/mol
- Monoisotopic mass
- 250.0673042
Names & identifiers
- Preferred name
- 2-(4-Chlorobenzylamino)-5-fluoroaniline
- IUPAC
- 1-N-[(4-chlorophenyl)methyl]-4-fluorobenzene-1,2-diamine
Names & synonyms
SCHEMBL9681343NPJHGRXIUSBHEO-UHFFFAOYSA-N2-(4-chlorobenzylamino)-5-fluoroaniline2-(4-chlorophenylmethylamino)-5-fluoroaniline
Database identifiers
- PubChem CID
- 14952991
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Related reactions
10 records
Compound notes
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