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

C18H17NO2 — CID 25110763

IUPAC4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2cc3cc(OC)ccc3o2)cc1
InChIInChI=1S/C18H17NO2/c1-19-15-6-3-13(4-7-15)5-8-17-12-14-11-16(20-2)9-10-18(14)21-17/h3-12,19H,1-2H3/b8-5+
InChIKeyHDGZBNVTNVZYRG-VMPITWQZSA-N
MW279.34 g/mol
LogP4.65
Rot. Bonds4

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

4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline (PubChem CID 25110763) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
PubChem CID25110763
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2cc3cc(OC)ccc3o2)cc1
InChIInChI=1S/C18H17NO2/c1-19-15-6-3-13(4-7-15)5-8-17-12-14-11-16(20-2)9-10-18(14)21-17/h3-12,19H,1-2H3/b8-5+
InChIKeyHDGZBNVTNVZYRG-VMPITWQZSA-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

5-Hydroxy-2-(4-methylaminophenyl)benzofuran
CID 11550464
5-Hydroxy-2-(4-aminophenyl)benzofuran
CID 11499570
5-Hydroxy-2-(4-dimethylaminophenyl)benzofuran
CID 11543378
5-Methoxy-2-(4-aminophenyl)benzofuran
CID 11579589
5-Methoxy-2-(4-dimethylaminophenyl)benzofuran
CID 11673398
5-Methoxy-2-(4-methylaminophenyl)benzofuran
CID 11708629
5-(5-(2-(2-(2-[18F]Fluoroethoxy)ethoxy)ethoxy)benzofuran-2-yl)-N-methylbenzenamine
CID 52951983
N-(4-Benzofuran-4-ylmethyl-phenyl)-butyramide
CID 44264909
4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
CID 71451875
(4-Aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone
CID 877208
N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide
CID 827855
N-[4-(1-benzofuran-2-yl)phenyl]acetamide
CID 660707

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline (CID 25110763) is 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2cc3cc(OC)ccc3o2)cc1.
What is the InChIKey of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The InChIKey is HDGZBNVTNVZYRG-VMPITWQZSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-15-6-3-13(4-7-15)5-8-17-12-14-11-16(20-2)9-10-18(14)21-17/h3-12,19H,1-2H3/b8-5+.
What are the key properties of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
4-[(E)-2-(5-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-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N-methylaniline is sourced from PubChem (CID 25110763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).