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

C20H25FN2O3 — CID 57396865

IUPAC4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1
InChIInChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+
InChIKeyYNDIAUKFXKEXSV-NSCUHMNNSA-N
MW360.43 g/mol
LogP3.68
Rot. Bonds12

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

4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline (PubChem CID 57396865) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
PubChem CID57396865
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1
InChIInChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+
InChIKeyYNDIAUKFXKEXSV-NSCUHMNNSA-N
XLogP3.68
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline (CID 57396865) is 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1.
What is the InChIKey of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The InChIKey is YNDIAUKFXKEXSV-NSCUHMNNSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+.
What are the key properties of 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline has a molecular weight of 360.43 g/mol, XLogP of 3.68, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 57396865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).