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

C19H19NO2 — CID 44548343

IUPAC4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc2oc(/C=C/c3ccc(N(C)C)cc3)cc2c1
InChIInChI=1S/C19H19NO2/c1-20(2)16-7-4-14(5-8-16)6-9-18-13-15-12-17(21-3)10-11-19(15)22-18/h4-13H,1-3H3/b9-6+
InChIKeyXGPSYXJUIDXLGU-RMKNXTFCSA-N
MW293.37 g/mol
LogP4.68
Rot. Bonds4

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

4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 44548343) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID44548343
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc2oc(/C=C/c3ccc(N(C)C)cc3)cc2c1
InChIInChI=1S/C19H19NO2/c1-20(2)16-7-4-14(5-8-16)6-9-18-13-15-12-17(21-3)10-11-19(15)22-18/h4-13H,1-3H3/b9-6+
InChIKeyXGPSYXJUIDXLGU-RMKNXTFCSA-N
XLogP4.68
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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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
4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71457198
4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71462568
(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
Mdl 27048
CID 6439188

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline (CID 44548343) is 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline is COc1ccc2oc(/C=C/c3ccc(N(C)C)cc3)cc2c1.
What is the InChIKey of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is XGPSYXJUIDXLGU-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20(2)16-7-4-14(5-8-16)6-9-18-13-15-12-17(21-3)10-11-19(15)22-18/h4-13H,1-3H3/b9-6+.
What are the key properties of 4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(5-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 293.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 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,N-dimethylaniline is sourced from PubChem (CID 44548343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).