Basic information
- CAS
39819-26-6- Standard SMILES
COc1ccc(CCNCc2ccc3ccccc3n2)cc1OC- InChIKey
WHQBOHYVTSHKSR-UHFFFAOYSA-N- Molecular formula
- C20H22N2O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.16812795
Names & identifiers
- Preferred name
- 2-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine
- IUPAC
- 2-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine
Names & synonyms
39819-26-6NSC131400DTXSID50960382NSC-1314002-(3,4-Dimethoxyphenyl)-N-[(quinolin-2-yl)methyl]ethan-1-amine
Database identifiers
- CAS
39819-26-6- PubChem CID
- 79790
- DTXSID
DTXSID50960382
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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