4-[2-(furan-2-yl)ethenoxy]aniline

C12H11NO2 — CID 70574712

IUPAC4-[2-(furan-2-yl)ethenoxy]aniline
SMILESNc1ccc(OC=Cc2ccco2)cc1
InChIInChI=1S/C12H11NO2/c13-10-3-5-12(6-4-10)15-9-7-11-2-1-8-14-11/h1-9H,13H2
InChIKeyLIHBHKWZZKGXDF-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.91
Rot. Bonds3

About 4-[2-(furan-2-yl)ethenoxy]aniline

4-[2-(furan-2-yl)ethenoxy]aniline (PubChem CID 70574712) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)ethenoxy]aniline.

Molecular Properties

Compound Name4-[2-(furan-2-yl)ethenoxy]aniline
PubChem CID70574712
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-[2-(furan-2-yl)ethenoxy]aniline
SMILESNc1ccc(OC=Cc2ccco2)cc1
InChIInChI=1S/C12H11NO2/c13-10-3-5-12(6-4-10)15-9-7-11-2-1-8-14-11/h1-9H,13H2
InChIKeyLIHBHKWZZKGXDF-UHFFFAOYSA-N
XLogP2.91
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)ethenoxy]aniline?
The IUPAC name of 4-[2-(furan-2-yl)ethenoxy]aniline (CID 70574712) is 4-[2-(furan-2-yl)ethenoxy]aniline.
What is the SMILES notation for 4-[2-(furan-2-yl)ethenoxy]aniline?
The canonical SMILES for 4-[2-(furan-2-yl)ethenoxy]aniline is Nc1ccc(OC=Cc2ccco2)cc1.
What is the InChIKey of 4-[2-(furan-2-yl)ethenoxy]aniline?
The InChIKey is LIHBHKWZZKGXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c13-10-3-5-12(6-4-10)15-9-7-11-2-1-8-14-11/h1-9H,13H2.
What are the key properties of 4-[2-(furan-2-yl)ethenoxy]aniline?
4-[2-(furan-2-yl)ethenoxy]aniline has a molecular weight of 201.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)ethenoxy]aniline is sourced from PubChem (CID 70574712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).