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

C18H20FN — CID 51039204

IUPACN,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2ccccc2F)cc1
InChIInChI=1S/C18H20FN/c1-3-20(4-2)17-13-10-15(11-14-17)9-12-16-7-5-6-8-18(16)19/h5-14H,3-4H2,1-2H3/b12-9+
InChIKeyWPNVGPHHSWVHQF-FMIVXFBMSA-N
MW269.36 g/mol
LogP4.84
Rot. Bonds5

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

N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline (PubChem CID 51039204) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline
PubChem CID51039204
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2ccccc2F)cc1
InChIInChI=1S/C18H20FN/c1-3-20(4-2)17-13-10-15(11-14-17)9-12-16-7-5-6-8-18(16)19/h5-14H,3-4H2,1-2H3/b12-9+
InChIKeyWPNVGPHHSWVHQF-FMIVXFBMSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.84
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline (CID 51039204) is N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline is CCN(CC)c1ccc(/C=C/c2ccccc2F)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline?
The InChIKey is WPNVGPHHSWVHQF-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H20FN/c1-3-20(4-2)17-13-10-15(11-14-17)9-12-16-7-5-6-8-18(16)19/h5-14H,3-4H2,1-2H3/b12-9+.
What are the key properties of N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline?
N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline has a molecular weight of 269.36 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline is sourced from PubChem (CID 51039204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).