Basic information
- CAS
40553-75-1- Standard SMILES
COc1ccc(C2CCC([NH2+]CCCC(=O)c3ccc(F)cc3)CC2)cc1.[Cl-]- InChIKey
AVOYXDNJDONWLN-UHFFFAOYSA-N- Molecular formula
- C23H29ClFNO2
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.187085
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(4-(p-anisyl)cyclohexylamino)-, hydrochloride, (E)-
- IUPAC
- [4-(4-fluorophenyl)-4-oxobutyl]-[4-(4-methoxyphenyl)cyclohexyl]azanium chloride
Names & synonyms
trans-4'-Fluoro-4-(4-(p-anisyl)cyclohexylamino)butyrophenone hydrochlorideBUTYROPHENONE, 4'-FLUORO-4-(4-(p-ANISYL)CYCLOHEXYLAMINO)-, HYDROCHLORIDE, (E)-40553-75-1RefChem:331418
Database identifiers
- CAS
40553-75-1- PubChem CID
- 38516
Properties
Computed structural properties
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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