Basic information
- Standard SMILES
COc1ccc2c(c1OC)CC(NCC(O)c1cccc(C(F)(F)F)c1)C2- InChIKey
PHPNTOZIIFNNBN-UHFFFAOYSA-N- Molecular formula
- C20H22F3NO3
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.15517805
Names & identifiers
- Preferred name
- 1-(3-Trifluoromethylphenyl)-2-(4,5-dimethoxyindan-2-yl)aminoethanol
- IUPAC
- 2-[(4,5-dimethoxy-2,3-dihydro-1H-inden-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
Names & synonyms
1-(3-trifluoromethylphenyl)-2-(4,5-dimethoxyindan-2-yl)aminoethanolSCHEMBL8548976
Database identifiers
- PubChem CID
- 23358124
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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