4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline

C18H17NO2 — CID 44548514

IUPAC4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2cc3ccc(OC)cc3o2)cc1
InChIInChI=1S/C18H17NO2/c1-19-15-7-3-13(4-8-15)5-9-17-11-14-6-10-16(20-2)12-18(14)21-17/h3-12,19H,1-2H3/b9-5+
InChIKeyIXTBLXIUSQISOJ-WEVVVXLNSA-N
MW279.34 g/mol
LogP4.65
Rot. Bonds4

About 4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline

4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline (PubChem CID 44548514) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
PubChem CID44548514
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2cc3ccc(OC)cc3o2)cc1
InChIInChI=1S/C18H17NO2/c1-19-15-7-3-13(4-8-15)5-9-17-11-14-6-10-16(20-2)12-18(14)21-17/h3-12,19H,1-2H3/b9-5+
InChIKeyIXTBLXIUSQISOJ-WEVVVXLNSA-N
XLogP4.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline (CID 44548514) is 4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2cc3ccc(OC)cc3o2)cc1.
What is the InChIKey of 4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The InChIKey is IXTBLXIUSQISOJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-15-7-3-13(4-8-15)5-9-17-11-14-6-10-16(20-2)12-18(14)21-17/h3-12,19H,1-2H3/b9-5+.
What are the key properties of 4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline has a molecular weight of 279.34 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline is sourced from PubChem (CID 44548514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).