4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline

C16H17FN2O — CID 72533525

IUPAC4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(C=Cc2ccc(OCCF)nc2)cc1
InChIInChI=1S/C16H17FN2O/c1-18-15-7-4-13(5-8-15)2-3-14-6-9-16(19-12-14)20-11-10-17/h2-9,12,18H,10-11H2,1H3
InChIKeyFDYBXTFMFZGCIY-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.64
Rot. Bonds6

About 4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline

4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline (PubChem CID 72533525) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline
PubChem CID72533525
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(C=Cc2ccc(OCCF)nc2)cc1
InChIInChI=1S/C16H17FN2O/c1-18-15-7-4-13(5-8-15)2-3-14-6-9-16(19-12-14)20-11-10-17/h2-9,12,18H,10-11H2,1H3
InChIKeyFDYBXTFMFZGCIY-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 89181117
4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline
CID 59510830
2-((18F)fluoromethyl)-3-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]propan-1-ol
CID 25026934
4-[(E)-2-[6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 172537243
4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline
CID 45485172
4-[(E)-2-[6-[1-(4-amino-2-methylbutan-2-yl)oxypropan-2-yloxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 167508955
4-[2-[5-bromo-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 91048351
4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979858
tert-butyl N-[4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]phenyl]-N-methylcarbamate
CID 88916794
2-[[3-iodo-5-[2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethanol
CID 67384502
4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline
CID 142259487
[4-[2-[6-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]phenyl]-methylcarbamic acid
CID 67455025

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline (CID 72533525) is 4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline is CNc1ccc(C=Cc2ccc(OCCF)nc2)cc1.
What is the InChIKey of 4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline?
The InChIKey is FDYBXTFMFZGCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-18-15-7-4-13(5-8-15)2-3-14-6-9-16(19-12-14)20-11-10-17/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline?
4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline has a molecular weight of 272.32 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 72533525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).