Papaveraldylamine

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Basic information

CAS: 39964-73-3
Standard SMILES: COc1ccc(C(N)c2nccc3cc(OC)c(OC)cc23)cc1OC
InChIKey: XWBMYSLAWCIYBM-UHFFFAOYSA-N
Molecular formula: C20H22N2O4
Average molar mass: 354.4 g/mol
Monoisotopic mass: 354.15795719

Names & identifiers

Preferred name: Papaveraldylamine
IUPAC: (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanamine
English name: MFCD01717321
Molecular formula: C20H22N2O4
Molecular weight: 354.4

Names & synonyms

39964-73-3PapaveraldylamineRefChem:1094305[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]amine(6,7-Dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanamine1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)methanamine(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanamineMFCD01717321BRN 0339414alpha-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-1-isoquinolinemethanamine1-ISOQUINOLINEMETHANAMINE, 6,7-DIMETHOXY-alpha-(3,4-DIMETHOXYPHENYL)-MLS001208592

Show more names

(6,7-dimethoxy-1-isoquinolyl)-(3,4-dimethoxyphenyl)methanamine[(6,7-dimethoxy-1-isoquinolyl)-(3,4-dimethoxyphenyl)methyl]amine1-Isoquinolinemethanamine, α-(3,4-dimethoxyphenyl)-6,7-dimethoxy-C-(6,7-Dimethoxy-isoquinolin-1-yl)-C-(3,4-dimethoxy-phenyl)-methylamine

CHEMBL1506656DTXSID90960467HMS1706O07HMS2830P05ALBB-026184SBB072902STK803117AKOS000643843

Database identifiers

CAS: 39964-73-3
PubChem CID: 38370
DTXSID: DTXSID90960467
ChEMBL: CHEMBL1506656
Nikkaji: J68.846K

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 75.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 438

Physicochemical properties

EWG's Food Scores: 1 · 1

Related reactions

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Compound notes

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