4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline

C19H20ClN — CID 58649433

IUPAC4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=CCC=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN/c1-21(2)19-14-10-17(11-15-19)7-5-3-4-6-16-8-12-18(20)13-9-16/h4-15H,3H2,1-2H3
InChIKeyYZSVOKYZJRFGEO-UHFFFAOYSA-N
MW297.83 g/mol
LogP5.52
Rot. Bonds5

About 4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline

4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline (PubChem CID 58649433) has the molecular formula C19H20ClN and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
PubChem CID58649433
Molecular FormulaC19H20ClN
Molecular Weight297.83 g/mol
Exact Mass297.13
IUPAC Name4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=CCC=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN/c1-21(2)19-14-10-17(11-15-19)7-5-3-4-6-16-8-12-18(20)13-9-16/h4-15H,3H2,1-2H3
InChIKeyYZSVOKYZJRFGEO-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.83
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline (CID 58649433) is 4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline is CN(C)c1ccc(C=CCC=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline?
The InChIKey is YZSVOKYZJRFGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN/c1-21(2)19-14-10-17(11-15-19)7-5-3-4-6-16-8-12-18(20)13-9-16/h4-15H,3H2,1-2H3.
What are the key properties of 4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline?
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline has a molecular weight of 297.83 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline is sourced from PubChem (CID 58649433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).