Basic information
- Standard SMILES
FCCNC1CCC(Nc2cccc3cnccc23)CC1- InChIKey
YEXYFDXEDNAKJH-UHFFFAOYSA-N- Molecular formula
- C17H22FN3
- Average molar mass
- 287.37 g/mol
- Monoisotopic mass
- 287.17977588
Names & identifiers
- Preferred name
- N1-(2-Fluoroethyl)-N4-(5-isoquinolyl)-1,4-cyclohexanediamine
- IUPAC
- 1-N-(2-fluoroethyl)-4-N-isoquinolin-5-ylcyclohexane-1,4-diamine
Names & synonyms
SCHEMBL1716291SCHEMBL14514420SCHEMBL14514421YEXYFDXEDNAKJH-UHFFFAOYSA-NN1-(2-Fluoroethyl)-N4-(5-isoquinolyl)-1,4-cyclohexanediamine
Database identifiers
- PubChem CID
- 9835570
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Related reactions
2 records
Compound notes
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