4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline

C20H24FNO3 — CID 155928980

IUPAC4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline
SMILESNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1
InChIInChI=1S/C20H24FNO3/c21-11-12-23-13-14-24-15-16-25-20-9-5-18(6-10-20)2-1-17-3-7-19(22)8-4-17/h1-10H,11-16,22H2/b2-1+/i21-1
InChIKeyXLFAFYNDRUXJQP-XZDMAIFQSA-N
MW344.42 g/mol
LogP3.82
Rot. Bonds11

About 4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline

4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline (PubChem CID 155928980) has the molecular formula C20H24FNO3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline
PubChem CID155928980
Molecular FormulaC20H24FNO3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline
SMILESNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1
InChIInChI=1S/C20H24FNO3/c21-11-12-23-13-14-24-15-16-25-20-9-5-18(6-10-20)2-1-17-3-7-19(22)8-4-17/h1-10H,11-16,22H2/b2-1+/i21-1
InChIKeyXLFAFYNDRUXJQP-XZDMAIFQSA-N
XLogP3.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.82
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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Related Compounds

4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol
CID 166905123
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine
CID 102398908
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline
CID 73442994
4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
CID 69438444
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline
CID 59510830
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline
CID 75048273

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline?
The IUPAC name of 4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline (CID 155928980) is 4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline.
What is the SMILES notation for 4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline?
The canonical SMILES for 4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline is Nc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline?
The InChIKey is XLFAFYNDRUXJQP-XZDMAIFQSA-N. The full InChI is InChI=1S/C20H24FNO3/c21-11-12-23-13-14-24-15-16-25-20-9-5-18(6-10-20)2-1-17-3-7-19(22)8-4-17/h1-10H,11-16,22H2/b2-1+/i21-1.
What are the key properties of 4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline?
4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline has a molecular weight of 344.42 g/mol, XLogP of 3.82, 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-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline is sourced from PubChem (CID 155928980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).