4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline

C21H24FNO3 — CID 16659421

IUPAC4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline
SMILESCNc1ccc(C#Cc2ccc(OCCOCCOCCF)cc2)cc1
InChIInChI=1S/C21H24FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h4-11,23H,12-17H2,1H3
InChIKeyZPLMXEYKAUEZGH-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.51
Rot. Bonds10

About 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline

4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline (PubChem CID 16659421) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline
PubChem CID16659421
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline
SMILESCNc1ccc(C#Cc2ccc(OCCOCCOCCF)cc2)cc1
InChIInChI=1S/C21H24FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h4-11,23H,12-17H2,1H3
InChIKeyZPLMXEYKAUEZGH-UHFFFAOYSA-N
XLogP3.51
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Florbetaben (18F)
CID 11501341
Florbetaben unlabelled
CID 53257383
N-(4-Methoxybenzyl)aniline
CID 408377
4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N,N-dimethylaniline
CID 16659381
4-[(4-iodophenyl)methoxy]-N-methylaniline
CID 65477722
N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 755971
N-(4-ethoxybenzyl)-N'-phenylurea
CID 757706
(3-Fluorophenyl)[2-(4-methoxyphenyl)-1-methylethyl]amine
CID 2848284
4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline
CID 16659247
4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline
CID 16659248
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]penta-1,4-dien-3-one
CID 52937645
(1E,4E)-1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one
CID 52937647

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline?
The IUPAC name of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline (CID 16659421) is 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline.
What is the SMILES notation for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline?
The canonical SMILES for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline is CNc1ccc(C#Cc2ccc(OCCOCCOCCF)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline?
The InChIKey is ZPLMXEYKAUEZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h4-11,23H,12-17H2,1H3.
What are the key properties of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline?
4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline has a molecular weight of 357.43 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline is sourced from PubChem (CID 16659421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).