4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile

C18H18N2 — CID 58915445

IUPAC4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile
SMILESCc1cc(/C=C/c2ccc(N(C)C)cc2)ccc1C#N
InChIInChI=1S/C18H18N2/c1-14-12-16(6-9-17(14)13-19)5-4-15-7-10-18(11-8-15)20(2)3/h4-12H,1-3H3/b5-4+
InChIKeyBJXKZVYJPNGUJW-SNAWJCMRSA-N
MW262.36 g/mol
LogP4.10
Rot. Bonds3

About 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile

4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile (PubChem CID 58915445) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile
PubChem CID58915445
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile
SMILESCc1cc(/C=C/c2ccc(N(C)C)cc2)ccc1C#N
InChIInChI=1S/C18H18N2/c1-14-12-16(6-9-17(14)13-19)5-4-15-7-10-18(11-8-15)20(2)3/h4-12H,1-3H3/b5-4+
InChIKeyBJXKZVYJPNGUJW-SNAWJCMRSA-N
XLogP4.10
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.10
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'}

Analyze 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-cyanoethenyl)-2-methylbenzonitrile
CID 169483493
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
2,4,6-tris[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzene-1,3,5-tricarbonitrile
CID 101132247
2,5-diformylbenzene-1,4-dicarbonitrile;bis(4-(dimethylamino)benzaldehyde);2,5-dimethylbenzene-1,4-dicarbonitrile
CID 158391600
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
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
4-methanehydrazonoyl-2-methylbenzonitrile
CID 168529206
2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile
CID 89445469
4-[2-[3-[(E)-2-[4-[(E)-2-[2,5-bis[2-[4-(dimethylamino)phenyl]ethynyl]phenyl]ethenyl]phenyl]ethenyl]-4-[2-[4-(dimethylamino)phenyl]ethynyl]phenyl]ethynyl]-N,N-dimethylaniline
CID 102264095
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
tert-butyl 3-(4-cyano-3-methylphenyl)prop-2-enoate
CID 68649265
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile?
The IUPAC name of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile (CID 58915445) is 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile.
What is the SMILES notation for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile?
The canonical SMILES for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile is Cc1cc(/C=C/c2ccc(N(C)C)cc2)ccc1C#N.
What is the InChIKey of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile?
The InChIKey is BJXKZVYJPNGUJW-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H18N2/c1-14-12-16(6-9-17(14)13-19)5-4-15-7-10-18(11-8-15)20(2)3/h4-12H,1-3H3/b5-4+.
What are the key properties of 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile?
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile is sourced from PubChem (CID 58915445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).