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

C22H20FN — CID 101071138

IUPAC4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C(=C/c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20FN/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+
InChIKeyZMSAIBYJYZQTHN-CJLVFECKSA-N
MW317.41 g/mol
LogP5.48
Rot. Bonds4

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

4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline (PubChem CID 101071138) has the molecular formula C22H20FN and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
PubChem CID101071138
Molecular FormulaC22H20FN
Molecular Weight317.41 g/mol
Exact Mass317.16
IUPAC Name4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C(=C/c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20FN/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+
InChIKeyZMSAIBYJYZQTHN-CJLVFECKSA-N
XLogP5.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.48
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'}

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Related Compounds

4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 20830984
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
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-[(Z)-2-bromo-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101070753
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
methyl 4-[(E)-2-[4-(dimethylamino)phenyl]-2-(4-methoxycarbonylphenyl)ethenyl]benzoate
CID 171662104
1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene
CID 71055530
1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one
CID 66673921
4-[(Z)-2-[4-[4-[(E)-2-[4-(diethylamino)phenyl]-2-phenylethenyl]phenyl]phenyl]-1-phenylethenyl]-N,N-diethylaniline
CID 59935150
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline (CID 101071138) is 4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C(=C/c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline?
The InChIKey is ZMSAIBYJYZQTHN-CJLVFECKSA-N. The full InChI is InChI=1S/C22H20FN/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-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline?
4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline has a molecular weight of 317.41 g/mol, XLogP of 5.48, 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-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 101071138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).