4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline

C20H25N — CID 139552946

IUPAC4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C/c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H25N/c1-5-21(6-2)20-13-11-18(12-14-20)9-10-19-8-7-16(3)17(4)15-19/h7-15H,5-6H2,1-4H3/b10-9+
InChIKeyIEDOAAVQSQVCEO-MDZDMXLPSA-N
MW279.43 g/mol
LogP5.32
Rot. Bonds5

About 4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline

4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline (PubChem CID 139552946) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
PubChem CID139552946
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C/c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H25N/c1-5-21(6-2)20-13-11-18(12-14-20)9-10-19-8-7-16(3)17(4)15-19/h7-15H,5-6H2,1-4H3/b10-9+
InChIKeyIEDOAAVQSQVCEO-MDZDMXLPSA-N
XLogP5.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
4-[(E)-2-(3,5-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 122629396
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
4-[(E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]ethenyl]-N,N-diethylaniline
CID 101499417
4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline
CID 101368819
4-[(E)-2-[4-(N-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]-4-methylanilino)phenyl]ethenyl]-1-N,1-N,3-N,3-N-tetraethylbenzene-1,3-diamine
CID 20761133
N-[4-[2-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 123191031
4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethenyl]-N,N-diethylaniline
CID 86173463
4-[(E)-2-[2-[[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2-pyridinyl]sulfanyl]-4-pyridinyl]ethenyl]-N,N-diethylaniline
CID 143493253
4-but-1-enyl-1,2-dimethylbenzene
CID 54516988
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline (CID 139552946) is 4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=C/c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline?
The InChIKey is IEDOAAVQSQVCEO-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H25N/c1-5-21(6-2)20-13-11-18(12-14-20)9-10-19-8-7-16(3)17(4)15-19/h7-15H,5-6H2,1-4H3/b10-9+.
What are the key properties of 4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline?
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline has a molecular weight of 279.43 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 139552946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).