4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline

C17H15NO2 — CID 44548346

IUPAC4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline
SMILESCOc1ccc2oc(/C=C/c3ccc(N)cc3)cc2c1
InChIInChI=1S/C17H15NO2/c1-19-15-8-9-17-13(10-15)11-16(20-17)7-4-12-2-5-14(18)6-3-12/h2-11H,18H2,1H3/b7-4+
InChIKeyRTKWOUNYQOOKDK-QPJJXVBHSA-N
MW265.31 g/mol
LogP4.19
Rot. Bonds3

About 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline

4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline (PubChem CID 44548346) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline
PubChem CID44548346
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline
SMILESCOc1ccc2oc(/C=C/c3ccc(N)cc3)cc2c1
InChIInChI=1S/C17H15NO2/c1-19-15-8-9-17-13(10-15)11-16(20-17)7-4-12-2-5-14(18)6-3-12/h2-11H,18H2,1H3/b7-4+
InChIKeyRTKWOUNYQOOKDK-QPJJXVBHSA-N
XLogP4.19
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline (CID 44548346) is 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline is COc1ccc2oc(/C=C/c3ccc(N)cc3)cc2c1.
What is the InChIKey of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline?
The InChIKey is RTKWOUNYQOOKDK-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H15NO2/c1-19-15-8-9-17-13(10-15)11-16(20-17)7-4-12-2-5-14(18)6-3-12/h2-11H,18H2,1H3/b7-4+.
What are the key properties of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline?
4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline has a molecular weight of 265.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]aniline is sourced from PubChem (CID 44548346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).