Basic information
- CAS
939399-54-9- Standard SMILES
CC(C)Cc1cc([C@](N)(Cc2ccccc2)c2cc(F)cc(C(F)(F)F)c2)ccc1F- InChIKey
PSHVVIDJIUYMPD-XMMPIXPASA-N- Molecular formula
- C25H24F5N
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.18289087
Names & identifiers
- Preferred name
- (R)-1-(4-fluoro-3-isobutylphenyl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethanamine
- IUPAC
- (1R)-1-[4-fluoro-3-(2-methylpropyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
Names & synonyms
(R)-1-(4-fluoro-3-isobutylphenyl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethanamineSCHEMBL760928DTXSID201115260939399-54-9(1R)-1-[4-Fluoro-3-(2-methylpropyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethan-1-amine(I+/-R)-I+/--[4-Fluoro-3-(2-methylpropyl)phenyl]-I+/--[3-fluoro-5-(trifluoromethyl)phenyl]benzeneethanamine
Database identifiers
- CAS
939399-54-9- PubChem CID
- 59458407
- DTXSID
DTXSID201115260
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 559
Related reactions
2 records
Compound notes
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