Basic information
- Standard SMILES
COC(=O)c1ccc(CCC(C)(C)NCC(O)c2cccc(C(F)(F)F)c2)cc1- InChIKey
NQYPEFJEBAOBLU-UHFFFAOYSA-N- Molecular formula
- C22H26F3NO3
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.18647818
Names & identifiers
- Preferred name
- N-(3-(4-Carbomethoxyphenyl)-1,1-dimethylpropyl)-2-hydroxy-2-(3-trifluoromethylphenyl)ethanamine
- IUPAC
- methyl 4-[3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-3-methylbutyl]benzoate
Names & synonyms
N-(3-(4-Carbomethoxyphenyl)-1,1-dimethylpropyl)-2-hydroxy-2-(3-trifluoromethylphenyl)ethanamineSCHEMBL11039327
Database identifiers
- PubChem CID
- 20501353
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 516
Related reactions
1 records
Compound notes
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