1-Isoquinolinemethanamine, 6,7-dimethoxy-alpha-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)-
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Basic information
- CAS
39964-81-3- Standard SMILES
COc1ccc(C(NCCc2ccccc2)c2nccc3cc(OC)c(OC)cc23)cc1OC- InChIKey
AKRAYSGCOJUJFQ-UHFFFAOYSA-N- Molecular formula
- C28H30N2O4
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.22055744
Names & identifiers
- Preferred name
- 1-Isoquinolinemethanamine, 6,7-dimethoxy-alpha-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)-
- IUPAC
- N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine
- English name
- 6,7-Dimethoxy-α-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)isoquinoline-1-methanamine
- Molecular formula
- C28H30N2O4
- Molecular weight
- 458.5488
Names & synonyms
BRN 046456139964-81-3alpha-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-N-(2-phenylethyl)-1-isoquinolinemethanamine5-22-12-00445 (Beilstein Handbook Reference)1-Isoquinolinemethanamine, 6,7-dimethoxy-alpha-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)-RefChem:231188DTXSID50960468N-[(6,7-Dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-phenylethan-1-amine6,7-Dimethoxy-α-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)isoquinoline-1-methanamine
Database identifiers
- CAS
39964-81-3- PubChem CID
- 38371
- DTXSID
DTXSID50960468- Nikkaji
- J68.847I
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
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Compound notes
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