Basic information
- CAS
38085-16-4- Standard SMILES
COc1cc(CC2NCCc3cc(O)ccc32)cc(OC)c1OC- InChIKey
BTVXBTHFCHQBCB-UHFFFAOYSA-N- Molecular formula
- C19H23NO4
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16270821
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-6-isoquinolinol
- IUPAC
- 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
Names & synonyms
SCHEMBL10349436DTXSID5013565141,2,3,4-Tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-6-isoquinolinol38085-16-4
Database identifiers
- CAS
38085-16-4- PubChem CID
- 217068
- DTXSID
DTXSID501356514
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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