4-[[Benzyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
Basic information
- CAS
847269-74-3- Standard SMILES
Cc1ccc2c(CN(C)Cc3ccccc3)cc(=O)oc2c1C- InChIKey
HKMQKCCJKQPMBI-UHFFFAOYSA-N- Molecular formula
- C20H21NO2
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.15722891
Names & identifiers
- Preferred name
- 4-[[Benzyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
- IUPAC
- 4-[[benzyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
Names & synonyms
847269-74-34-[[benzyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one4-((benzyl(methyl)amino)methyl)-7,8-dimethyl-2H-chromen-2-one4-{[benzyl(methyl)amino]methyl}-7,8-dimethyl-2H-chromen-2-oneMLS001214887CHEMBL1430767DTXSID801322544HMS2883F10STK923976AKOS001369199SMR000543355ST50469703
Show more names
Z444928597,8-dimethyl-4-{[methylbenzylamino]methyl}chromen-2-oneF3385-01454-{[Benzyl(methyl)amino]methyl}-7,8-dimethyl-2H-1-benzopyran-2-one
Database identifiers
- CAS
847269-74-3- PubChem CID
- 943563
- DTXSID
DTXSID801322544- ChEMBL
CHEMBL1430767
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
Solubility1.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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