Basic information
- Standard SMILES
CCC1(CC(O)(CNc2cccc3nc(C)ccc23)C(F)(F)F)CCCc2ccccc21- InChIKey
XJFFZMILSHZEQK-UHFFFAOYSA-N- Molecular formula
- C26H29F3N2O
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- 3-(1-Ethyl-1,2,3,4-tetrahydro-1-naphthalenyl)-1,1,1-trifluoro-2-[[(2-methyl-5-quinolinyl) amino]methyl]-2-propanol
- IUPAC
- 2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-[(2-methylquinolin-5-yl)amino]propan-2-ol
Names & synonyms
CHEMBL2381473-(1-Ethyl-1,2,3,4-tetrahydro-1-naphthalenyl)-1,1,1-trifluoro-2-[[(2-methyl-5-quinolinyl) amino]methyl]-2-propanolSCHEMBL809188BDBM50411489
Database identifiers
- PubChem CID
- 11568433
- ChEMBL
CHEMBL238147
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 629
Related reactions
2 records
Compound notes
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