4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline

C21H26FNO3 — CID 142791408

IUPAC4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline
SMILESCc1cc(N)ccc1/C=C/c1ccc(OCCOCCOCCF)cc1
InChIInChI=1S/C21H26FNO3/c1-17-16-20(23)7-6-19(17)5-2-18-3-8-21(9-4-18)26-15-14-25-13-12-24-11-10-22/h2-9,16H,10-15,23H2,1H3/b5-2+
InChIKeyFTBCOEZQULCTJA-GORDUTHDSA-N
MW359.44 g/mol
LogP4.13
Rot. Bonds11

About 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline

4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline (PubChem CID 142791408) 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]-3-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline
PubChem CID142791408
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline
SMILESCc1cc(N)ccc1/C=C/c1ccc(OCCOCCOCCF)cc1
InChIInChI=1S/C21H26FNO3/c1-17-16-20(23)7-6-19(17)5-2-18-3-8-21(9-4-18)26-15-14-25-13-12-24-11-10-22/h2-9,16H,10-15,23H2,1H3/b5-2+
InChIKeyFTBCOEZQULCTJA-GORDUTHDSA-N
XLogP4.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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]-3-methylaniline?
The IUPAC name of 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline (CID 142791408) is 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline?
The canonical SMILES for 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline is Cc1cc(N)ccc1/C=C/c1ccc(OCCOCCOCCF)cc1.
What is the InChIKey of 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline?
The InChIKey is FTBCOEZQULCTJA-GORDUTHDSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-17-16-20(23)7-6-19(17)5-2-18-3-8-21(9-4-18)26-15-14-25-13-12-24-11-10-22/h2-9,16H,10-15,23H2,1H3/b5-2+.
What are the key properties of 4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline?
4-[(E)-2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl]-3-methylaniline has a molecular weight of 359.44 g/mol, XLogP of 4.13, 11 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]-3-methylaniline is sourced from PubChem (CID 142791408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).