Basic information
- Standard SMILES
Cc1cc([C@H](Nc2ccc(C)c(C3OCCO3)c2)C(F)(F)F)ccc1Cl- InChIKey
XCCRSUXIGWUPPT-KRWDZBQOSA-N- Molecular formula
- C19H19ClF3NO2
- Average molar mass
- 385.8 g/mol
Names & identifiers
- Preferred name
- [(S)-1-(4-Chloro-3-methyl-phenyl)-2,2,2-trifluoro-ethyl]-(3-[1,3]dioxolan-2-yl-4-methyl-phenyl)-amine
- IUPAC
- N-[(1S)-1-(4-chloro-3-methylphenyl)-2,2,2-trifluoroethyl]-3-(1,3-dioxolan-2-yl)-4-methylaniline
Names & synonyms
[(S)-1-(4-Chloro-3-methyl-phenyl)-2,2,2-trifluoro-ethyl]-(3-[1,3]dioxolan-2-yl-4-methyl-phenyl)-amineSCHEMBL12403547[(5)-1-(4-Chloro-3-methyl-phenyl)-2,2,2-trifluoro-ethyl]-(3-[1,3]dioxolan-2-yl-4-methyl-phenyl)-amine
Database identifiers
- PubChem CID
- 68258686
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 459
Related reactions
2 records
Compound notes
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