4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline

C22H29FN2O3 — CID 177390012

IUPAC4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline
SMILESCN(C)c1ccc(/C=C/c2ccc(COCCOCCOCC[18F])nc2)cc1
InChIInChI=1S/C22H29FN2O3/c1-25(2)22-9-6-19(7-10-22)3-4-20-5-8-21(24-17-20)18-28-16-15-27-14-13-26-12-11-23/h3-10,17H,11-16,18H2,1-2H3/b4-3+/i23-1
InChIKeyLTIOAQIWVQYIFY-GMBLAFOMSA-N
MW387.49 g/mol
LogP3.84
Rot. Bonds13

About 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline

4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline (PubChem CID 177390012) has the molecular formula C22H29FN2O3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline.

Molecular Properties

Compound Name4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline
PubChem CID177390012
Molecular FormulaC22H29FN2O3
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline
SMILESCN(C)c1ccc(/C=C/c2ccc(COCCOCCOCC[18F])nc2)cc1
InChIInChI=1S/C22H29FN2O3/c1-25(2)22-9-6-19(7-10-22)3-4-20-5-8-21(24-17-20)18-28-16-15-27-14-13-26-12-11-23/h3-10,17H,11-16,18H2,1-2H3/b4-3+/i23-1
InChIKeyLTIOAQIWVQYIFY-GMBLAFOMSA-N
XLogP3.84
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]phenyl]-N-methylcarbamate
CID 88916794
4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline
CID 72771992
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
tert-butyl N-[4-[(E)-2-[6-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[[5-[(E)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]phenyl]-N-methylcarbamate
CID 56850124
4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrazin-2-yl]ethenyl]-N,N-dimethylaniline
CID 50936651
4-[2-[5-bromo-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 91048351
[4-[2-[6-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]phenyl]-methylcarbamic acid
CID 67455025
4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline
CID 155928980
[5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate
CID 122423779
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
2-[[5-[2-[4-(dimethylamino)phenyl]ethenyl]-3-iodo-2-pyridinyl]oxy]ethanol
CID 67384509
4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline
CID 143693515

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline?
The IUPAC name of 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline (CID 177390012) is 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline.
What is the SMILES notation for 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline?
The canonical SMILES for 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline is CN(C)c1ccc(/C=C/c2ccc(COCCOCCOCC[18F])nc2)cc1.
What is the InChIKey of 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline?
The InChIKey is LTIOAQIWVQYIFY-GMBLAFOMSA-N. The full InChI is InChI=1S/C22H29FN2O3/c1-25(2)22-9-6-19(7-10-22)3-4-20-5-8-21(24-17-20)18-28-16-15-27-14-13-26-12-11-23/h3-10,17H,11-16,18H2,1-2H3/b4-3+/i23-1.
What are the key properties of 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline?
4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline has a molecular weight of 387.49 g/mol, XLogP of 3.84, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxymethyl]-3-pyridinyl]ethenyl]-N,N-dimethyl(18F)aniline is sourced from PubChem (CID 177390012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).