Basic information
- Standard SMILES
Cc1ccccc1CN(Cc1ccccc1C)[C@H](C=O)Cc1cc(F)cc(F)c1- InChIKey
FGSAMXXTNBVFBQ-VWLOTQADSA-N- Molecular formula
- C25H25F2NO
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- 2-(S)-[bis-(2-methylbenzyl)-amino]-3-(3,5-difluorophenyl)-propionaldehyde
- IUPAC
- (2S)-2-[bis[(2-methylphenyl)methyl]amino]-3-(3,5-difluorophenyl)propanal
Names & synonyms
SCHEMBL3855298FGSAMXXTNBVFBQ-VWLOTQADSA-N2-(S)-[bis-(2-methylbenzyl)-amino]-3-(3,5-difluorophenyl)-propionaldehyde
Database identifiers
- PubChem CID
- 86614992
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 467
Related reactions
3 records
Compound notes
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