ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate

C13H15NO3 — CID 23049270

IUPACethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(CCN)cccc2o1
InChIInChI=1S/C13H15NO3/c1-2-16-13(15)12-8-10-9(6-7-14)4-3-5-11(10)17-12/h3-5,8H,2,6-7,14H2,1H3
InChIKeyCPNPKMNDLGUQMX-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.11
Rot. Bonds4

About ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate

ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate (PubChem CID 23049270) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate
PubChem CID23049270
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(CCN)cccc2o1
InChIInChI=1S/C13H15NO3/c1-2-16-13(15)12-8-10-9(6-7-14)4-3-5-11(10)17-12/h3-5,8H,2,6-7,14H2,1H3
InChIKeyCPNPKMNDLGUQMX-UHFFFAOYSA-N
XLogP2.11
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
CID 15170240
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
ethyl dibenzofuran-1-carboxylate
CID 11858911
ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
CID 15170239
ethyl 7-iodo-4-oxochromene-2-carboxylate
CID 119089265
ethyl 3-methyl-2,4-dioxo-13-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),11-hexaene-12-carboxylate
CID 146667345
ethyl 5-bromo-4-nitro-1-benzofuran-2-carboxylate
CID 134125489
ethyl 5-fluoro-2-oxofuro[2,3-h]chromene-8-carboxylate
CID 15385144
ethyl 4-benzyl-5-methylfuran-2-carboxylate
CID 102582435
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate (CID 23049270) is ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2c(CCN)cccc2o1.
What is the InChIKey of ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate?
The InChIKey is CPNPKMNDLGUQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-16-13(15)12-8-10-9(6-7-14)4-3-5-11(10)17-12/h3-5,8H,2,6-7,14H2,1H3.
What are the key properties of ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate?
ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 23049270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).