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

C16H16FN — CID 6538416

IUPAC4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccccc2F)cc1
InChIInChI=1S/C16H16FN/c1-18(2)15-11-8-13(9-12-15)7-10-14-5-3-4-6-16(14)17/h3-12H,1-2H3/b10-7+
InChIKeyCJPYZTZXCORKJE-JXMROGBWSA-N
MW241.31 g/mol
LogP4.06
Rot. Bonds3

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

4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 6538416) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline
PubChem CID6538416
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccccc2F)cc1
InChIInChI=1S/C16H16FN/c1-18(2)15-11-8-13(9-12-15)7-10-14-5-3-4-6-16(14)17/h3-12H,1-2H3/b10-7+
InChIKeyCJPYZTZXCORKJE-JXMROGBWSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.06
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

1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
CID 21116999
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
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-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline
CID 168830159
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-diphenylaniline;1-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]-4-methylpiperazine
CID 122698648
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
4-N-[4-[2-[4-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]-2,5-bis(trifluoromethyl)phenyl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 58932016

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline (CID 6538416) is 4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2ccccc2F)cc1.
What is the InChIKey of 4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is CJPYZTZXCORKJE-JXMROGBWSA-N. The full InChI is InChI=1S/C16H16FN/c1-18(2)15-11-8-13(9-12-15)7-10-14-5-3-4-6-16(14)17/h3-12H,1-2H3/b10-7+.
What are the key properties of 4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 241.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 6538416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).