Basic information
- Standard SMILES
CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)CN- InChIKey
KLZOMHMOSHIVRB-UHFFFAOYSA-N- Molecular formula
- C23H32FNO2
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.24170743
Names & identifiers
- Preferred name
- 4-Ethyl-2-(4-fluorophenyl)-5-[(6,6-dimethyl-7-aminoheptyl)oxy]phenol
- IUPAC
- 5-(7-amino-6,6-dimethylheptoxy)-4-ethyl-2-(4-fluorophenyl)phenol
Names & synonyms
SCHEMBL6760439KLZOMHMOSHIVRB-UHFFFAOYSA-N4-ethyl-2-(4-fluorophenyl)-5-[(6,6-dimethyl-7-aminoheptyl)oxy]phenol
Database identifiers
- PubChem CID
- 23501736
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 409
Related reactions
2 records
Compound notes
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