methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate

C14H19NO3 — CID 165488753

IUPACmethyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCN(CC)c1ccc2c(c1)OC(C(=O)OC)C2
InChIInChI=1S/C14H19NO3/c1-4-15(5-2)11-7-6-10-8-13(14(16)17-3)18-12(10)9-11/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyVIRKSKPPTKCWHF-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.01
Rot. Bonds4

About methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate

methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 165488753) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID165488753
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCCN(CC)c1ccc2c(c1)OC(C(=O)OC)C2
InChIInChI=1S/C14H19NO3/c1-4-15(5-2)11-7-6-10-8-13(14(16)17-3)18-12(10)9-11/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyVIRKSKPPTKCWHF-UHFFFAOYSA-N
XLogP2.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 10703555
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
ethyl 7-(diethylamino)-2-oxo-3,4-dihydrochromene-3-carboxylate
CID 175647610
methyl 5-(bromomethyl)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 88990215
methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 165466089
2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid
CID 82624519
methyl 6-[(3-propan-2-yl-1,2-oxazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-2-carboxylate
CID 167839001
methyl 5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14468425
(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 10686807
methyl (3R)-7-bromo-1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 7464537
propan-2-yl 6-bromo-2,3-dihydro-1-benzofuran-2-carboxylate
CID 135396958
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 142473007

Frequently Asked Questions

What is the IUPAC name of methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate (CID 165488753) is methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate is CCN(CC)c1ccc2c(c1)OC(C(=O)OC)C2.
What is the InChIKey of methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is VIRKSKPPTKCWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-15(5-2)11-7-6-10-8-13(14(16)17-3)18-12(10)9-11/h6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate?
methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 165488753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).