3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile

C13H14N2O3 — CID 103482585

IUPAC3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile
SMILESN#Cc1oc2ccccc2c1OCCOCCN
InChIInChI=1S/C13H14N2O3/c14-5-6-16-7-8-17-13-10-3-1-2-4-11(10)18-12(13)9-15/h1-4H,5-8,14H2
InChIKeyLOXNANXPHAKSSO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.66
Rot. Bonds6

About 3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile

3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile (PubChem CID 103482585) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile
PubChem CID103482585
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile
SMILESN#Cc1oc2ccccc2c1OCCOCCN
InChIInChI=1S/C13H14N2O3/c14-5-6-16-7-8-17-13-10-3-1-2-4-11(10)18-12(13)9-15/h1-4H,5-8,14H2
InChIKeyLOXNANXPHAKSSO-UHFFFAOYSA-N
XLogP1.66
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile?
The IUPAC name of 3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile (CID 103482585) is 3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile?
The canonical SMILES for 3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile is N#Cc1oc2ccccc2c1OCCOCCN.
What is the InChIKey of 3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile?
The InChIKey is LOXNANXPHAKSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-5-6-16-7-8-17-13-10-3-1-2-4-11(10)18-12(13)9-15/h1-4H,5-8,14H2.
What are the key properties of 3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile?
3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 103482585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).