(S)-3-methyl-1-{4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}butan-1-amine
Basic information
- Standard SMILES
CC(C)C[C@H](N)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1- InChIKey
PJBYLWUCUOANNB-HNNXBMFYSA-N- Molecular formula
- C17H19F3N2
- Average molar mass
- 308.34 g/mol
Names & identifiers
- Preferred name
- (S)-3-methyl-1-{4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}butan-1-amine
- IUPAC
- (1S)-3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]butan-1-amine
Names & synonyms
(S)-3-methyl-1-{4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}butan-1-amineSCHEMBL9951456
Database identifiers
- PubChem CID
- 67980909
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 335
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Related reactions
5 records
Compound notes
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