Basic information
- Standard SMILES
CC(C)(C)CCN=Cc1cccc(F)c1NCCN1CCCCC1- InChIKey
VTCVNBUSWOBMRH-UHFFFAOYSA-N- Molecular formula
- C20H32FN3
- Average molar mass
- 333.5 g/mol
Names & identifiers
- Preferred name
- 2-((E)-(3,3-dimethylbutylimino)methyl)-6-fluoro-N-(2-(piperidin-1-yl)ethyl)benzenamine
- IUPAC
- 2-(3,3-dimethylbutyliminomethyl)-6-fluoro-N-(2-piperidin-1-ylethyl)aniline
Names & synonyms
SCHEMBL2100381SCHEMBL2100384VTCVNBUSWOBMRH-CJLVFECKSA-N2-((E)-(3,3-dimethylbutylimino)methyl)-6-fluoro-N-(2-(piperidin-1-yl)ethyl)benzenamine
Database identifiers
- PubChem CID
- 57774405
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 372
Related reactions
2 records
Compound notes
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