6-(diethylaminomethyl)-2,3-dimethylchromen-4-one

C16H21NO2 — CID 3063438

IUPAC6-(diethylaminomethyl)-2,3-dimethylchromen-4-one
SMILESCCN(CC)Cc1ccc2oc(C)c(C)c(=O)c2c1
InChIInChI=1S/C16H21NO2/c1-5-17(6-2)10-13-7-8-15-14(9-13)16(18)11(3)12(4)19-15/h7-9H,5-6,10H2,1-4H3
InChIKeyCYHHTPXLEZFYRM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.25
Rot. Bonds4

About 6-(diethylaminomethyl)-2,3-dimethylchromen-4-one

6-(diethylaminomethyl)-2,3-dimethylchromen-4-one (PubChem CID 3063438) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-2,3-dimethylchromen-4-one.

Molecular Properties

Compound Name6-(diethylaminomethyl)-2,3-dimethylchromen-4-one
PubChem CID3063438
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name6-(diethylaminomethyl)-2,3-dimethylchromen-4-one
SMILESCCN(CC)Cc1ccc2oc(C)c(C)c(=O)c2c1
InChIInChI=1S/C16H21NO2/c1-5-17(6-2)10-13-7-8-15-14(9-13)16(18)11(3)12(4)19-15/h7-9H,5-6,10H2,1-4H3
InChIKeyCYHHTPXLEZFYRM-UHFFFAOYSA-N
XLogP3.25
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-2,3-dimethylchromen-4-one?
The IUPAC name of 6-(diethylaminomethyl)-2,3-dimethylchromen-4-one (CID 3063438) is 6-(diethylaminomethyl)-2,3-dimethylchromen-4-one.
What is the SMILES notation for 6-(diethylaminomethyl)-2,3-dimethylchromen-4-one?
The canonical SMILES for 6-(diethylaminomethyl)-2,3-dimethylchromen-4-one is CCN(CC)Cc1ccc2oc(C)c(C)c(=O)c2c1.
What is the InChIKey of 6-(diethylaminomethyl)-2,3-dimethylchromen-4-one?
The InChIKey is CYHHTPXLEZFYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-5-17(6-2)10-13-7-8-15-14(9-13)16(18)11(3)12(4)19-15/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 6-(diethylaminomethyl)-2,3-dimethylchromen-4-one?
6-(diethylaminomethyl)-2,3-dimethylchromen-4-one has a molecular weight of 259.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-2,3-dimethylchromen-4-one is sourced from PubChem (CID 3063438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).