5-ethoxy-2-(furan-2-yl)benzenecarboximidamide

C13H14N2O2 — CID 22042250

IUPAC5-ethoxy-2-(furan-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OCC)ccc1-c1ccco1
InChIInChI=1S/C13H14N2O2/c1-2-16-9-5-6-10(11(8-9)13(14)15)12-4-3-7-17-12/h3-8H,2H2,1H3,(H3,14,15)
InChIKeyXSELXRNVGZRNBW-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.63
Rot. Bonds4

About 5-ethoxy-2-(furan-2-yl)benzenecarboximidamide

5-ethoxy-2-(furan-2-yl)benzenecarboximidamide (PubChem CID 22042250) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-ethoxy-2-(furan-2-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-ethoxy-2-(furan-2-yl)benzenecarboximidamide
PubChem CID22042250
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-ethoxy-2-(furan-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OCC)ccc1-c1ccco1
InChIInChI=1S/C13H14N2O2/c1-2-16-9-5-6-10(11(8-9)13(14)15)12-4-3-7-17-12/h3-8H,2H2,1H3,(H3,14,15)
InChIKeyXSELXRNVGZRNBW-UHFFFAOYSA-N
XLogP2.63
TPSA72.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(furan-2-yl)benzenecarboximidamide?
The IUPAC name of 5-ethoxy-2-(furan-2-yl)benzenecarboximidamide (CID 22042250) is 5-ethoxy-2-(furan-2-yl)benzenecarboximidamide.
What is the SMILES notation for 5-ethoxy-2-(furan-2-yl)benzenecarboximidamide?
The canonical SMILES for 5-ethoxy-2-(furan-2-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(OCC)ccc1-c1ccco1.
What is the InChIKey of 5-ethoxy-2-(furan-2-yl)benzenecarboximidamide?
The InChIKey is XSELXRNVGZRNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-16-9-5-6-10(11(8-9)13(14)15)12-4-3-7-17-12/h3-8H,2H2,1H3,(H3,14,15).
What are the key properties of 5-ethoxy-2-(furan-2-yl)benzenecarboximidamide?
5-ethoxy-2-(furan-2-yl)benzenecarboximidamide has a molecular weight of 230.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(furan-2-yl)benzenecarboximidamide is sourced from PubChem (CID 22042250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).