2-[(Dimethylamino)(phenyl)methyl]cyclohexyl 4-(trifluoromethyl)benzoate hydrochloride
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Basic information
- Standard SMILES
CN(C)C(c1ccccc1)C1CCCCC1OC(=O)c1ccc(C(F)(F)F)cc1.Cl- InChIKey
VFJVOUALZFHZDG-UHFFFAOYSA-N- Molecular formula
- C23H27ClF3NO2
- Average molar mass
- 441.9 g/mol
- Monoisotopic mass
- 441.1682413
Names & identifiers
- Preferred name
- 2-[(Dimethylamino)(phenyl)methyl]cyclohexyl 4-(trifluoromethyl)benzoate hydrochloride
- IUPAC
- [2-[dimethylamino(phenyl)methyl]cyclohexyl] 4-(trifluoromethyl)benzoate;hydrochloride
Names & synonyms
SCHEMBL5377405AKOS033542861[2-(Dimethylaminophenylmethyl)cyclohexyl]4-trifluoromethylbenzoate hydrochloride2-[(dimethylamino)(phenyl)methyl]cyclohexyl 4-(trifluoromethyl)benzoate hydrochloride
Database identifiers
- PubChem CID
- 9846161
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 523
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Related reactions
2 records
Compound notes
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