Basic information
- Standard SMILES
CC(C)[C@H](COCCc1ccccc1)Nc1ccc(C(F)(F)F)cc1- InChIKey
YFNGAERMQPMBQC-IBGZPJMESA-N- Molecular formula
- C20H24F3NO
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- N-{(1R)-2-methyl-1-[(2-phenylethoxy)methyl]propyl}-4-(trifluoromethyl)aniline
- IUPAC
- N-[(2R)-3-methyl-1-(2-phenylethoxy)butan-2-yl]-4-(trifluoromethyl)aniline
Names & synonyms
N-{(1R)-2-methyl-1-[(2-phenylethoxy)methyl]propyl}-4-(trifluoromethyl)anilineSCHEMBL1261920
Database identifiers
- PubChem CID
- 66969587
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 358
Related reactions
1 records
Compound notes
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