Isoquinoline, 1-(alpha-amino-p-methoxybenzyl)-6,7-dimethoxy-3-methyl-, dihydrochloride

HCID 205244

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Basic information

CAS: 17656-64-3
Standard SMILES: COc1ccc(NCc2nc(C)cc3cc(OC)c(OC)cc23)cc1.Cl.Cl
InChIKey: ACKFFTASEFWFGF-UHFFFAOYSA-N
Molecular formula: C20H24Cl2N2O3
Average molar mass: 411.3 g/mol
Monoisotopic mass: 410.116398

Names & identifiers

Preferred name: Isoquinoline, 1-(alpha-amino-p-methoxybenzyl)-6,7-dimethoxy-3-methyl-, dihydrochloride
IUPAC: N-[(6,7-dimethoxy-3-methylisoquinolin-1-yl)methyl]-4-methoxyaniline;dihydrochloride

Names & synonyms

Isoquinoline, 1-(alpha-amino-p-methoxybenzyl)-6,7-dimethoxy-3-methyl-, dihydrochloride1-(alpha-Amino-p-methoxybenzyl)-6,7-dimethoxy-3-methylisoquinoline dihydrochloride17656-64-3DTXSID60170157RefChem:349982DTXCID7092648N-[(6,7-Dimethoxy-3-methylisoquinolin-1-yl)methyl]-4-methoxyaniline--hydrogen chloride (1/2)

Database identifiers

CAS: 17656-64-3
PubChem CID: 205244
DTXSID: DTXSID60170157

Properties

Computed structural properties

Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 400

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