Basic information
- Standard SMILES
c1ccc(COc2cccc3c2CCNC3)cc1- InChIKey
PHXVDOJOJSPWEK-UHFFFAOYSA-N- Molecular formula
- C16H17NO
- Average molar mass
- 239.31 g/mol
Names & identifiers
- Preferred name
- 5-Benzyloxy-1,2,3,4-tetrahydro-isoquinoline
- IUPAC
- 5-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
Names & synonyms
SCHEMBL5016341PHXVDOJOJSPWEK-UHFFFAOYSA-N5-benzyloxy-1,2,3,4-tetrahydro-isoquinoline
Database identifiers
- PubChem CID
- 21473643
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Related reactions
2 records
Compound notes
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