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

C18H17NO — CID 44548342

IUPAC4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H17NO/c1-19(2)16-10-7-14(8-11-16)9-12-17-13-15-5-3-4-6-18(15)20-17/h3-13H,1-2H3/b12-9+
InChIKeyXLEXDXOZTVTOAH-FMIVXFBMSA-N
MW263.34 g/mol
LogP4.67
Rot. Bonds3

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

4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 44548342) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID44548342
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H17NO/c1-19(2)16-10-7-14(8-11-16)9-12-17-13-15-5-3-4-6-18(15)20-17/h3-13H,1-2H3/b12-9+
InChIKeyXLEXDXOZTVTOAH-FMIVXFBMSA-N
XLogP4.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline (CID 44548342) is 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is XLEXDXOZTVTOAH-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H17NO/c1-19(2)16-10-7-14(8-11-16)9-12-17-13-15-5-3-4-6-18(15)20-17/h3-13H,1-2H3/b12-9+.
What are the key properties of 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 263.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 44548342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).