4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline

C21H26FNO3 — CID 53257383

IUPAC4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1
InChIInChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+
InChIKeyNCWZOASIUQVOFA-NSCUHMNNSA-N
MW359.44 g/mol
LogP4.28
Rot. Bonds12

About 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline

4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline (PubChem CID 53257383) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
PubChem CID53257383
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1
InChIInChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+
InChIKeyNCWZOASIUQVOFA-NSCUHMNNSA-N
XLogP4.28
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline (CID 53257383) is 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline?
The InChIKey is NCWZOASIUQVOFA-NSCUHMNNSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+.
What are the key properties of 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline?
4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline has a molecular weight of 359.44 g/mol, XLogP of 4.28, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 53257383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).