3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one

C14H19NO2 — CID 134967601

IUPAC3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one
SMILESCCN(CC)CC1(C)OC(=O)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-4-15(5-2)10-14(3)12-9-7-6-8-11(12)13(16)17-14/h6-9H,4-5,10H2,1-3H3
InChIKeyFLICABDHHDVRSQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.41
Rot. Bonds4

About 3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one

3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one (PubChem CID 134967601) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one
PubChem CID134967601
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one
SMILESCCN(CC)CC1(C)OC(=O)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-4-15(5-2)10-14(3)12-9-7-6-8-11(12)13(16)17-14/h6-9H,4-5,10H2,1-3H3
InChIKeyFLICABDHHDVRSQ-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one?
The IUPAC name of 3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one (CID 134967601) is 3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one.
What is the SMILES notation for 3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one?
The canonical SMILES for 3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one is CCN(CC)CC1(C)OC(=O)c2ccccc21.
What is the InChIKey of 3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one?
The InChIKey is FLICABDHHDVRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-15(5-2)10-14(3)12-9-7-6-8-11(12)13(16)17-14/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one?
3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-3-methyl-2-benzofuran-1-one is sourced from PubChem (CID 134967601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).