4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline

C22H26FNO4 — CID 54586251

IUPAC4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C22H26FNO4/c1-24(2)19-5-3-17(4-6-19)22-16-18-15-20(7-8-21(18)28-22)27-14-13-26-12-11-25-10-9-23/h3-8,15-16H,9-14H2,1-2H3
InChIKeyJLLHBYAOUZOVJL-UHFFFAOYSA-N
MW387.45 g/mol
LogP4.55
Rot. Bonds11

About 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline

4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline (PubChem CID 54586251) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline
PubChem CID54586251
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C22H26FNO4/c1-24(2)19-5-3-17(4-6-19)22-16-18-15-20(7-8-21(18)28-22)27-14-13-26-12-11-25-10-9-23/h3-8,15-16H,9-14H2,1-2H3
InChIKeyJLLHBYAOUZOVJL-UHFFFAOYSA-N
XLogP4.55
TPSA44.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Hydroxy-2-(4-methylaminophenyl)benzofuran
CID 11550464
5-Hydroxy-2-(4-dimethylaminophenyl)benzofuran
CID 11543378
5-Methoxy-2-(4-aminophenyl)benzofuran
CID 11579589
5-Methoxy-2-(4-dimethylaminophenyl)benzofuran
CID 11673398
5-Methoxy-2-(4-methylaminophenyl)benzofuran
CID 11708629
5-(5-(2-(2-(2-[18F]Fluoroethoxy)ethoxy)ethoxy)benzofuran-2-yl)-N-methylbenzenamine
CID 52951983
4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71457198
4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71462568
4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline
CID 52951981
4-(2-(5-methoxybenzofuran-2-yl)vinyl)-N-methylbenzenamine
CID 25110763
2-(4-(Dimethylamino)styryl)benzofuran-5-ol
CID 44548165
4-(2-(5-methoxybenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548343

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline (CID 54586251) is 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cc1.
What is the InChIKey of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline?
The InChIKey is JLLHBYAOUZOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-24(2)19-5-3-17(4-6-19)22-16-18-15-20(7-8-21(18)28-22)27-14-13-26-12-11-25-10-9-23/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline?
4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline has a molecular weight of 387.45 g/mol, XLogP of 4.55, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 54586251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).