4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline

C20H26N2 — CID 71427638

IUPAC4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
SMILESCCN(CC)c1ccc(C=Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H26N2/c1-5-22(6-2)20-15-11-18(12-16-20)8-7-17-9-13-19(14-10-17)21(3)4/h7-16H,5-6H2,1-4H3
InChIKeyXPSKUROXEGJGJQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.77
Rot. Bonds6

About 4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline

4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline (PubChem CID 71427638) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
PubChem CID71427638
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
SMILESCCN(CC)c1ccc(C=Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H26N2/c1-5-22(6-2)20-15-11-18(12-16-20)8-7-17-9-13-19(14-10-17)21(3)4/h7-16H,5-6H2,1-4H3
InChIKeyXPSKUROXEGJGJQ-UHFFFAOYSA-N
XLogP4.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
3-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-N-ethylanilino]propanenitrile
CID 70223318
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
N,N-diethyl-4-(6-phenylhexa-1,3,5-trienyl)aniline
CID 173357254
4-[(E)-2-(3,5-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 122629396
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline (CID 71427638) is 4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline is CCN(CC)c1ccc(C=Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is XPSKUROXEGJGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-5-22(6-2)20-15-11-18(12-16-20)8-7-17-9-13-19(14-10-17)21(3)4/h7-16H,5-6H2,1-4H3.
What are the key properties of 4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 294.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 71427638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).