4-(5-methoxy-1-benzofuran-2-yl)aniline

C15H13NO2 — CID 11579589

IUPAC4-(5-methoxy-1-benzofuran-2-yl)aniline
SMILESCOc1ccc2oc(-c3ccc(N)cc3)cc2c1
InChIInChI=1S/C15H13NO2/c1-17-13-6-7-14-11(8-13)9-15(18-14)10-2-4-12(16)5-3-10/h2-9H,16H2,1H3
InChIKeyGICMHQJTKXNMGB-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.69
Rot. Bonds2

About 4-(5-methoxy-1-benzofuran-2-yl)aniline

4-(5-methoxy-1-benzofuran-2-yl)aniline (PubChem CID 11579589) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(5-methoxy-1-benzofuran-2-yl)aniline.

Molecular Properties

Compound Name4-(5-methoxy-1-benzofuran-2-yl)aniline
PubChem CID11579589
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-(5-methoxy-1-benzofuran-2-yl)aniline
SMILESCOc1ccc2oc(-c3ccc(N)cc3)cc2c1
InChIInChI=1S/C15H13NO2/c1-17-13-6-7-14-11(8-13)9-15(18-14)10-2-4-12(16)5-3-10/h2-9H,16H2,1H3
InChIKeyGICMHQJTKXNMGB-UHFFFAOYSA-N
XLogP3.69
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.69
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-(5-methoxy-1-benzofuran-2-yl)aniline?
The IUPAC name of 4-(5-methoxy-1-benzofuran-2-yl)aniline (CID 11579589) is 4-(5-methoxy-1-benzofuran-2-yl)aniline.
What is the SMILES notation for 4-(5-methoxy-1-benzofuran-2-yl)aniline?
The canonical SMILES for 4-(5-methoxy-1-benzofuran-2-yl)aniline is COc1ccc2oc(-c3ccc(N)cc3)cc2c1.
What is the InChIKey of 4-(5-methoxy-1-benzofuran-2-yl)aniline?
The InChIKey is GICMHQJTKXNMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-17-13-6-7-14-11(8-13)9-15(18-14)10-2-4-12(16)5-3-10/h2-9H,16H2,1H3.
What are the key properties of 4-(5-methoxy-1-benzofuran-2-yl)aniline?
4-(5-methoxy-1-benzofuran-2-yl)aniline has a molecular weight of 239.27 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1-benzofuran-2-yl)aniline is sourced from PubChem (CID 11579589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).