Basic information
- Standard SMILES
CC1(C)CNc2cc(Cc3ccccc3F)ncc21- InChIKey
GAQAWMOSKFDQGC-UHFFFAOYSA-N- Molecular formula
- C16H17FN2
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.13757671
Names & identifiers
- Preferred name
- 6-(2-fluoro-benzyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
- IUPAC
- 6-[(2-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
Names & synonyms
SCHEMBL13733717GAQAWMOSKFDQGC-UHFFFAOYSA-N6-(2-fluoro-benzyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
Database identifiers
- PubChem CID
- 70980417
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Related reactions
1 records
Compound notes
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