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

C21H24FNO4 — CID 52951981

IUPAC4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C21H24FNO4/c1-23-18-4-2-16(3-5-18)21-15-17-14-19(6-7-20(17)27-21)26-13-12-25-11-10-24-9-8-22/h2-7,14-15,23H,8-13H2,1H3
InChIKeyMXLPXNGSUJCKMW-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.52
Rot. Bonds11

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

4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline (PubChem CID 52951981) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline
PubChem CID52951981
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C21H24FNO4/c1-23-18-4-2-16(3-5-18)21-15-17-14-19(6-7-20(17)27-21)26-13-12-25-11-10-24-9-8-22/h2-7,14-15,23H,8-13H2,1H3
InChIKeyMXLPXNGSUJCKMW-UHFFFAOYSA-N
XLogP4.52
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
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-aminophenyl)benzofuran
CID 11499570
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-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
CID 71451875
(4-Aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone
CID 877208
N-[4-(1-benzofuran-2-yl)phenyl]acetamide
CID 660707
4-(2-(5-methoxybenzofuran-2-yl)vinyl)-N-methylbenzenamine
CID 25110763
2-(4-(Dimethylamino)styryl)benzofuran-5-ol
CID 44548165

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline?
The IUPAC name of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline (CID 52951981) is 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline.
What is the SMILES notation for 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline?
The canonical SMILES for 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline is CNc1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cc1.
What is the InChIKey of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline?
The InChIKey is MXLPXNGSUJCKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-23-18-4-2-16(3-5-18)21-15-17-14-19(6-7-20(17)27-21)26-13-12-25-11-10-24-9-8-22/h2-7,14-15,23H,8-13H2,1H3.
What are the key properties of 4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline?
4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline has a molecular weight of 373.42 g/mol, XLogP of 4.52, 11 rotatable bonds, 1 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-methylaniline is sourced from PubChem (CID 52951981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).