4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline

C22H20ClN — CID 20830984

IUPAC4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20ClN/c1-24(2)21-14-10-19(11-15-21)22(18-6-4-3-5-7-18)16-17-8-12-20(23)13-9-17/h3-16H,1-2H3/b22-16+
InChIKeyJYGMMBTXHNPQJA-CJLVFECKSA-N
MW333.86 g/mol
LogP5.99
Rot. Bonds4

About 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline

4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline (PubChem CID 20830984) has the molecular formula C22H20ClN and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
PubChem CID20830984
Molecular FormulaC22H20ClN
Molecular Weight333.86 g/mol
Exact Mass333.13
IUPAC Name4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20ClN/c1-24(2)21-14-10-19(11-15-21)22(18-6-4-3-5-7-18)16-17-8-12-20(23)13-9-17/h3-16H,1-2H3/b22-16+
InChIKeyJYGMMBTXHNPQJA-CJLVFECKSA-N
XLogP5.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.99
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'}

Analyze 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline 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-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101071138
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N-[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 71096918
N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
CID 5382979
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-diphenylphosphane
CID 139204693
N-[(Z)-3-(4-chloroanilino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 2193641
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
CID 56850221
methyl 4-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxycarbonylphenyl)ethenyl]benzoate
CID 171662104

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline (CID 20830984) is 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline?
The InChIKey is JYGMMBTXHNPQJA-CJLVFECKSA-N. The full InChI is InChI=1S/C22H20ClN/c1-24(2)21-14-10-19(11-15-21)22(18-6-4-3-5-7-18)16-17-8-12-20(23)13-9-17/h3-16H,1-2H3/b22-16+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline?
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline has a molecular weight of 333.86 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 20830984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).