4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile

C18H20N2 — CID 71380052

IUPAC4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile
SMILESCN(C)c1ccc(CCCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H20N2/c1-20(2)18-12-10-16(11-13-18)5-3-4-15-6-8-17(14-19)9-7-15/h6-13H,3-5H2,1-2H3
InChIKeyUSCACCYUYFDFCU-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.80
Rot. Bonds5

About 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile

4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile (PubChem CID 71380052) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile
PubChem CID71380052
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile
SMILESCN(C)c1ccc(CCCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H20N2/c1-20(2)18-12-10-16(11-13-18)5-3-4-15-6-8-17(14-19)9-7-15/h6-13H,3-5H2,1-2H3
InChIKeyUSCACCYUYFDFCU-UHFFFAOYSA-N
XLogP3.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile 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-cyano-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889856
4-heptylbenzonitrile
CID 575863
4-(3-cyanopropyl)benzonitrile
CID 83927462
4-(8-phenyloctyl)benzonitrile
CID 21257462
4-heptyl-N,N-dimethylaniline
CID 20777180
4-[2-(4-pentylphenyl)ethynyl]benzonitrile
CID 57358257
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
3-(4-cyanophenyl)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 82141019
4-(6-bromohexyl)-N,N-dimethylaniline
CID 142754958
4-(5-aminopentyl)benzonitrile
CID 19004238
4-(4-aminopentyl)benzonitrile
CID 83927457

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile?
The IUPAC name of 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile (CID 71380052) is 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile.
What is the SMILES notation for 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile?
The canonical SMILES for 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile is CN(C)c1ccc(CCCc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile?
The InChIKey is USCACCYUYFDFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-20(2)18-12-10-16(11-13-18)5-3-4-15-6-8-17(14-19)9-7-15/h6-13H,3-5H2,1-2H3.
What are the key properties of 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile?
4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile has a molecular weight of 264.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile is sourced from PubChem (CID 71380052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).