Basic information
- CAS
42020-71-3- Standard SMILES
COC1(c2ccc(C)cc2)CCC(NCCCC(=O)c2ccc(F)cc2)CC1.Cl- InChIKey
VRCHGIBAGWCXID-UHFFFAOYSA-N- Molecular formula
- C24H31ClFNO2
- Average molar mass
- 420 g/mol
- Monoisotopic mass
- 419.2027351
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-4-((4-methoxy-4-(4-methylphenyl)cyclohexyl)amino)butan-1-one--hydrogen chloride (1/1)
- IUPAC
- 1-(4-fluorophenyl)-4-[[4-methoxy-4-(4-methylphenyl)cyclohexyl]amino]butan-1-one;hydrochloride
Names & synonyms
DTXSID509621691-(4-Fluorophenyl)-4-((4-methoxy-4-(4-methylphenyl)cyclohexyl)amino)butan-1-one--hydrogen chloride (1/1)1-(4-Fluorophenyl)-4-{[4-methoxy-4-(4-methylphenyl)cyclohexyl]amino}butan-1-one--hydrogen chloride (1/1)RefChem:1054382DTXCID40138998242020-71-3cis-4'-Fluoro-4-((4-methoxy-4-p-tolylcyclohexyl)amino)butyrophenone hydrochlorideButyrophenone, 4'-fluoro-4-((4-methoxy-4-p-tolylcyclohexyl)amino)-, hydrochlroide, (Z)-cis-N-(3-(p-Fluorobenzoyl)propyl)-4-methoxy-4-p-tolylcyclohexylamine hydrochlorideSCHEMBL11802217SCHEMBL11802226SCHEMBL11803814
Database identifiers
- CAS
42020-71-3- PubChem CID
- 3038947
- DTXSID
DTXSID50962169
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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