1-(3-Fluorophenyl)cyclohexylamine
Basic information
- CAS
125827-86-3- Standard SMILES
NC1(c2cccc(F)c2)CCCCC1- InChIKey
JNWGVEKXINNKAU-UHFFFAOYSA-N- Molecular formula
- C12H16FN
- Average molar mass
- 193.26 g/mol
- Monoisotopic mass
- 193.12667768
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-(3-Fluorophenyl)cyclohexylamine
- IUPAC
- 1-(3-fluorophenyl)cyclohexan-1-amine
- English name
- 1-(3-fluorophenyl)cyclohexylamine
- Molecular formula
- C12H16FN
- Molecular weight
- 193.26
Names & synonyms
125827-86-31-(3-Fluorophenyl)cyclohexylamine3-F-PcaDTXSID60154952RefChem:74327DTXCID40774431-(3-fluorophenyl)cyclohexan-1-amine1-(3-fluorophenyl)cyclohexanamineCyclohexanamine, 1-(3-fluorophenyl)-MFCD111039471-(3-Fluorophenyl)cyclohexanamideCHEMBL254644
Show more names
Cyclohexanamine,1-(3-fluorophenyl)-
SCHEMBL16266663TQP1677AKOS009321441Cyclohexanamide, 1-(3-fluorophenyl)-FF82990AS-32369DA-13395SY027253
Database identifiers
- CAS
125827-86-3- PubChem CID
- 3035993
- DTXSID
DTXSID60154952- ChEMBL
CHEMBL254644- Nikkaji
- J294.333F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 277.8 · 277.8±33.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- pka
- 9.09 · 9.09±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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