6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one

C19H19NO2 — CID 27708

IUPAC6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2ccc(CN(C)C)cc2c1=O
InChIInChI=1S/C19H19NO2/c1-13-18(21)16-11-14(12-20(2)3)9-10-17(16)22-19(13)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyRUWBZNVOHVJREW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.83
Rot. Bonds3

About 6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one

6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one (PubChem CID 27708) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one
PubChem CID27708
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2ccc(CN(C)C)cc2c1=O
InChIInChI=1S/C19H19NO2/c1-13-18(21)16-11-14(12-20(2)3)9-10-17(16)22-19(13)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyRUWBZNVOHVJREW-UHFFFAOYSA-N
XLogP3.83
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimefline
CID 3078
Mepixanox
CID 65687
6-Methyl-2-phenyl-chromen-4-one
CID 689013
Dimefline Hydrochloride
CID 443942
1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
2-(1-Benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
CID 23465639
1-(2-Hydroxyphenyl)-3-[4-methoxy-3-(4-morpholinylmethyl)phenyl]-2-propen-1-one
CID 6032438
Flavamine
CID 27443
1-Pentanone, 1,1'-(9H-xanthene-2,7-diyl)bis(5-(dimethylamino)-
CID 216998
Lauralkonium Chloride
CID 3038487
3-(4-Benzyl-piperidin-1-ylmethyl)-chromen-4-one
CID 2838196
3-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11773145

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one (CID 27708) is 6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one is Cc1c(-c2ccccc2)oc2ccc(CN(C)C)cc2c1=O.
What is the InChIKey of 6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one?
The InChIKey is RUWBZNVOHVJREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-18(21)16-11-14(12-20(2)3)9-10-17(16)22-19(13)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3.
What are the key properties of 6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one?
6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 27708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).