Basic information
- Standard SMILES
Cc1ccc(C(C)C)cc1OCc1c(C)nc(Cl)c2ccccc12- InChIKey
SVOGAEIYDCSPCJ-UHFFFAOYSA-N- Molecular formula
- C21H22ClNO
- Average molar mass
- 339.9 g/mol
Names & identifiers
- Preferred name
- 1-Chloro-4-(5-isopropyl-2-methyl-phenoxymethyl)-3-methyl-isoquinoline
- IUPAC
- 1-chloro-3-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]isoquinoline
Names & synonyms
SCHEMBL1470245SVOGAEIYDCSPCJ-UHFFFAOYSA-N1-chloro-4-(5-isopropyl-2-methyl-phenoxymethyl)-3-methyl-isoquinoline
Database identifiers
- PubChem CID
- 86615930
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 401
Related reactions
4 records
Compound notes
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