Basic information
- CAS
63937-99-5- Standard SMILES
CN1CCC2=C(CCCC2)C1CCc1ccc(Cl)cc1- InChIKey
XRWZTKSYDDGGAQ-UHFFFAOYSA-N- Molecular formula
- C18H24ClN
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 289.1597275
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-1-(4-chlorophenethyl)-2-methyl-
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
- English name
- 1-(4-Chlorophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline
- Molecular formula
- C18H24ClN
- Molecular weight
- 289.84
Names & synonyms
63937-99-51-(4-Chlorophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinolineBRN 14316195-20-07-00535 (Beilstein Handbook Reference)Isoquinoline, 1-(4-chlorophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydro-ISOQUINOLINE, 1,2,3,4,5,6,7,8-OCTAHYDRO-1-(4-CHLOROPHENETHYL)-2-METHYL-RefChem:3498831-[2-(4-Chlorophenyl)ethyl]-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinolineDTXSID10981210DB-300620Isoquinoline, 1-[2-(4-chlorophenyl)ethyl]-1,2,3,4,5,6,7,8-octahydro-2-methyl-
Database identifiers
- CAS
63937-99-5- PubChem CID
- 45552
- DTXSID
DTXSID10981210- Nikkaji
- J86.393I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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