4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline

C17H20FNO2 — CID 127027319

IUPAC4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline
SMILESCN(C)c1ccc(OCc2ccc(OCC[18F])cc2)cc1
InChIInChI=1S/C17H20FNO2/c1-19(2)15-5-9-17(10-6-15)21-13-14-3-7-16(8-4-14)20-12-11-18/h3-10H,11-13H2,1-2H3/i18-1
InChIKeyDNFMREXXSVOVBA-SQZVAGKESA-N
MW288.35 g/mol
LogP3.68
Rot. Bonds7

About 4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline

4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline (PubChem CID 127027319) has the molecular formula C17H20FNO2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline.

Molecular Properties

Compound Name4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline
PubChem CID127027319
Molecular FormulaC17H20FNO2
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline
SMILESCN(C)c1ccc(OCc2ccc(OCC[18F])cc2)cc1
InChIInChI=1S/C17H20FNO2/c1-19(2)15-5-9-17(10-6-15)21-13-14-3-7-16(8-4-14)20-12-11-18/h3-10H,11-13H2,1-2H3/i18-1
InChIKeyDNFMREXXSVOVBA-SQZVAGKESA-N
XLogP3.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline?
The IUPAC name of 4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline (CID 127027319) is 4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline.
What is the SMILES notation for 4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline?
The canonical SMILES for 4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline is CN(C)c1ccc(OCc2ccc(OCC[18F])cc2)cc1.
What is the InChIKey of 4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline?
The InChIKey is DNFMREXXSVOVBA-SQZVAGKESA-N. The full InChI is InChI=1S/C17H20FNO2/c1-19(2)15-5-9-17(10-6-15)21-13-14-3-7-16(8-4-14)20-12-11-18/h3-10H,11-13H2,1-2H3/i18-1.
What are the key properties of 4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline?
4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline has a molecular weight of 288.35 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-(18F)fluoroethoxy)phenyl]methoxy]-N,N-dimethyl(18F)aniline is sourced from PubChem (CID 127027319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).