3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(4-methoxyphenyl)-, dihydrochloride
Basic information
- CAS
83658-40-6- Standard SMILES
COc1ccc(C2=NC(CCN(C)C)Cc3ccccc32)cc1.Cl.Cl- InChIKey
YBOLSZHTVOOPTD-UHFFFAOYSA-N- Molecular formula
- C20H26Cl2N2O
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.1422188
Names & identifiers
- Preferred name
- 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(4-methoxyphenyl)-, dihydrochloride
- IUPAC
- 2-[1-(4-methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride
Names & synonyms
3,4-Dihydro-N,N-dimethyl-1-(4-methoxyphenyl)-3-isoquinolineethanamine dihydrochloride83658-40-63-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(4-methoxyphenyl)-, dihydrochlorideRefChem:280204DTXSID2010036452-[1-(4-Methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
83658-40-6- PubChem CID
- 3068643
- DTXSID
DTXSID201003645
Properties
Computed structural properties
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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