3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline

C16H16FN — CID 21116999

IUPAC3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccccc2)c(F)c1
InChIInChI=1S/C16H16FN/c1-18(2)15-11-10-14(16(17)12-15)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
InChIKeyHKGVCHLCVJODES-CMDGGOBGSA-N
MW241.31 g/mol
LogP4.06
Rot. Bonds3

About 3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline

3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline (PubChem CID 21116999) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
PubChem CID21116999
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccccc2)c(F)c1
InChIInChI=1S/C16H16FN/c1-18(2)15-11-10-14(16(17)12-15)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
InChIKeyHKGVCHLCVJODES-CMDGGOBGSA-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

4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline
CID 6538416
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
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
N,N-dimethylmethanamine;stilbene
CID 174368184
1-fluoro-4,5-dimethoxy-2-(2-phenylethenyl)benzene
CID 174823899
4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
CID 7085505
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
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene
CID 156631017

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline?
The IUPAC name of 3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline (CID 21116999) is 3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline.
What is the SMILES notation for 3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline?
The canonical SMILES for 3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline is CN(C)c1ccc(/C=C/c2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline?
The InChIKey is HKGVCHLCVJODES-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H16FN/c1-18(2)15-11-10-14(16(17)12-15)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+.
What are the key properties of 3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline?
3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline 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 3-fluoro-N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline is sourced from PubChem (CID 21116999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).