4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline

C16H15NO2 — CID 11708629

IUPAC4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2cc3cc(OC)ccc3o2)cc1
InChIInChI=1S/C16H15NO2/c1-17-13-5-3-11(4-6-13)16-10-12-9-14(18-2)7-8-15(12)19-16/h3-10,17H,1-2H3
InChIKeyUPVZXZTUTQNNFR-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.15
Rot. Bonds3

About 4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline

4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline (PubChem CID 11708629) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline
PubChem CID11708629
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2cc3cc(OC)ccc3o2)cc1
InChIInChI=1S/C16H15NO2/c1-17-13-5-3-11(4-6-13)16-10-12-9-14(18-2)7-8-15(12)19-16/h3-10,17H,1-2H3
InChIKeyUPVZXZTUTQNNFR-UHFFFAOYSA-N
XLogP4.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline?
The IUPAC name of 4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline (CID 11708629) is 4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline?
The canonical SMILES for 4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline is CNc1ccc(-c2cc3cc(OC)ccc3o2)cc1.
What is the InChIKey of 4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline?
The InChIKey is UPVZXZTUTQNNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17-13-5-3-11(4-6-13)16-10-12-9-14(18-2)7-8-15(12)19-16/h3-10,17H,1-2H3.
What are the key properties of 4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline?
4-(5-methoxy-1-benzofuran-2-yl)-N-methylaniline has a molecular weight of 253.30 g/mol, XLogP of 4.15, 3 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)-N-methylaniline is sourced from PubChem (CID 11708629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).