Basic information
- Standard SMILES
COc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)=NCC2- InChIKey
SAAURJNUTOUGCQ-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO
- Average molar mass
- 325.8 g/mol
Names & identifiers
- Preferred name
- 1-[1-(4-Chlorophenyl)cyclobutyl]-7-methoxy-3,4-dihydroisoquinoline
- IUPAC
- 1-[1-(4-chlorophenyl)cyclobutyl]-7-methoxy-3,4-dihydroisoquinoline
Names & synonyms
SCHEMBL989046SAAURJNUTOUGCQ-UHFFFAOYSA-N1-[1-(4-chlorophenyl)cyclobutyl]-7-methoxy-3,4-dihydroisoquinoline
Database identifiers
- PubChem CID
- 66868699
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Related reactions
4 records
Compound notes
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