Basic information
- CAS
70627-22-4- Standard SMILES
Fc1cccc(COc2ccc(CNc3c(F)cccc3F)cc2)c1- InChIKey
SVYRTXQPNRUEHK-UHFFFAOYSA-N- Molecular formula
- C20H16F3NO
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.11839862
Names & identifiers
- Preferred name
- Benzenemethanamine, N-(2,6-difluorophenyl)-4-((3-fluorophenyl)methoxy)-
- IUPAC
- 2,6-difluoro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
Names & synonyms
Benzenemethanamine, N-(2,6-difluorophenyl)-4-((3-fluorophenyl)methoxy)-70627-22-4DTXSID402209022,6-Difluoro-N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)aniline
Database identifiers
- CAS
70627-22-4- PubChem CID
- 155384
- DTXSID
DTXSID40220902
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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