Cyclopentyl(4-fluorophenyl)methanamine
Basic information
- CAS
943118-99-8- Standard SMILES
NC(c1ccc(F)cc1)C1CCCC1- InChIKey
NTNLGQWPYJTABN-UHFFFAOYSA-N- Molecular formula
- C12H16FN
- Average molar mass
- 193.26 g/mol
- Monoisotopic mass
- 193.12667768
Names & identifiers
- Preferred name
- Cyclopentyl(4-fluorophenyl)methanamine
- IUPAC
- cyclopentyl-(4-fluorophenyl)methanamine
- English name
- cyclopentyl(4-fluorophenyl)methan amine
- Molecular formula
- C12H16FN
- Molecular weight
- 193.2605432
Names & synonyms
cyclopentyl(4-fluorophenyl)methanamine943118-99-8cyclopentyl-(4-fluorophenyl)methanamine1-cyclopentyl-1-(4-fluorophenyl)methanamineSCHEMBL1396044NTNLGQWPYJTABN-UHFFFAOYSA-NTMB11899MFCD09803843AKOS000169087AKOS022258229DA-34933EN300-58093
Show more names
Reaxys ID: 19811920cyclopentyl(4-fluorophenyl)methan amineα-Cyclopentyl-4-fluorobenzenemethanamineBenzenemethanamine, α-cyclopentyl-4-fluoro-Benzenemethanamine, a-cyclopentyl-4-fluoro-
N12375AB01002281-01
Database identifiers
- CAS
943118-99-8- PubChem CID
- 20109571
- EC Number
- 883-691-9
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 276.8 · 276.8±15.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 9.3 · 9.30±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…