Basic information
- CAS
61190-18-9- Standard SMILES
COc1cc2cncc(Cc3ccccc3F)c2cc1OC- InChIKey
NJRLUXHRSXPRRJ-UHFFFAOYSA-N- Molecular formula
- C18H16FNO2
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.11650692
Names & identifiers
- Preferred name
- 4-(2-Fluorobenzyl)-6,7-dimethoxyisoquinoline
- IUPAC
- 4-[(2-fluorophenyl)methyl]-6,7-dimethoxyisoquinoline
Names & synonyms
4-(2-fluorobenzyl)-6,7-dimethoxyisoquinoline61190-18-94-[(2-fluorophenyl)methyl]-6,7-dimethoxyisoquinolineDTXSID10275383
Database identifiers
- CAS
61190-18-9- PubChem CID
- 36261
- DTXSID
DTXSID10275383
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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