1-(6,7-Dimethoxy-3-methylisoquinolin-1-yl)-1-(3-methoxyphenyl)methanamine--hydrogen chloride (1/2)
Basic information
- CAS
17656-59-6- Standard SMILES
COc1cccc(C(N)c2nc(C)cc3cc(OC)c(OC)cc23)c1.Cl.Cl- InChIKey
YOLBFEYLBLDCMZ-UHFFFAOYSA-N- Molecular formula
- C20H24Cl2N2O3
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 410.116398
Names & identifiers
- Preferred name
- 1-(6,7-Dimethoxy-3-methylisoquinolin-1-yl)-1-(3-methoxyphenyl)methanamine--hydrogen chloride (1/2)
- IUPAC
- (6,7-dimethoxy-3-methylisoquinolin-1-yl)-(3-methoxyphenyl)methanamine;dihydrochloride
Names & synonyms
17656-59-6DTXSID809388121-(6,7-Dimethoxy-3-methylisoquinolin-1-yl)-1-(3-methoxyphenyl)methanamine--hydrogen chloride (1/2)RefChem:1054534DTXCID7013673331-(alpha-Amino-m-methoxybenzyl)-6,7-dimethoxy-3-methylisoquinoline dihydrochlorideIsoquinoline, 1-(alpha-amino-m-methoxybenzyl)-6,7-dimethoxy-3-methyl-, dihydrochloride
Database identifiers
- CAS
17656-59-6- PubChem CID
- 205240
- DTXSID
DTXSID80938812
Properties
Computed structural properties
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 422
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Compound notes
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