4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline

C18H17NO2 — CID 91347052

IUPAC4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
SMILESCNc1ccc(C=Cc2oc3ccccc3c2OC)cc1
InChIInChI=1S/C18H17NO2/c1-19-14-10-7-13(8-11-14)9-12-17-18(20-2)15-5-3-4-6-16(15)21-17/h3-12,19H,1-2H3
InChIKeyWIJWHVSSMGUMLQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.65
Rot. Bonds4

About 4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline

4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline (PubChem CID 91347052) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
PubChem CID91347052
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
SMILESCNc1ccc(C=Cc2oc3ccccc3c2OC)cc1
InChIInChI=1S/C18H17NO2/c1-19-14-10-7-13(8-11-14)9-12-17-18(20-2)15-5-3-4-6-16(15)21-17/h3-12,19H,1-2H3
InChIKeyWIJWHVSSMGUMLQ-UHFFFAOYSA-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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Related Compounds

3-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
CID 102284965
3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
3-benzyl-2-[(E)-2-phenylethenyl]-1-benzofuran
CID 102483840
3-[(E)-2-(furan-2-yl)ethenyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1-benzofuran
CID 102284966
2-[2-(4-methoxyphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 3122852
[2-[(E)-2-phenylethenyl]-1-benzofuran-3-yl]methanol
CID 11265190
3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 735040
4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
CID 147240010
4-[2-(4-chlorophenyl)ethenyl]dibenzofuran
CID 77387011
2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one
CID 5364281
(3-methoxy-1-benzofuran-2-yl)methanamine
CID 75355394
2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran
CID 23445662

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The IUPAC name of 4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline (CID 91347052) is 4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The canonical SMILES for 4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline is CNc1ccc(C=Cc2oc3ccccc3c2OC)cc1.
What is the InChIKey of 4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The InChIKey is WIJWHVSSMGUMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-14-10-7-13(8-11-14)9-12-17-18(20-2)15-5-3-4-6-16(15)21-17/h3-12,19H,1-2H3.
What are the key properties of 4-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
4-[2-(3-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-[2-(3-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline is sourced from PubChem (CID 91347052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).