Basic information
- Standard SMILES
COc1ccc2c(OCC(O)CNC(C)C)cccc2c1- InChIKey
NYMXVBIZRYJLOY-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.1677936
Names & identifiers
- Preferred name
- 1-Isopropylamino-3-(6-methoxy-naphthalen-1-yloxy)-propan-2-ol
- IUPAC
- 1-(6-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
Names & synonyms
CHEMBL360096SCHEMBL28680552BDBM501698051-Isopropylamino-3-(6-methoxy-naphthalen-1-yloxy)-propan-2-ol
Database identifiers
- PubChem CID
- 12445790
- ChEMBL
CHEMBL360096- Nikkaji
- J1.343.591J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 298
Related reactions
1 records
Compound notes
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