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

C19H20FNO2 — CID 16659247

IUPAC4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline
SMILESCNc1ccc(C#Cc2ccc(OCCOCCF)cc2)cc1
InChIInChI=1S/C19H20FNO2/c1-21-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)23-15-14-22-13-12-20/h4-11,21H,12-15H2,1H3
InChIKeyYPKBIBRBVZISSW-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.49
Rot. Bonds7

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

4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline (PubChem CID 16659247) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline
PubChem CID16659247
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline
SMILESCNc1ccc(C#Cc2ccc(OCCOCCF)cc2)cc1
InChIInChI=1S/C19H20FNO2/c1-21-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)23-15-14-22-13-12-20/h4-11,21H,12-15H2,1H3
InChIKeyYPKBIBRBVZISSW-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-N-methylaniline
CID 16659421
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,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-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline?
The IUPAC name of 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline (CID 16659247) is 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline.
What is the SMILES notation for 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline?
The canonical SMILES for 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline is CNc1ccc(C#Cc2ccc(OCCOCCF)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline?
The InChIKey is YPKBIBRBVZISSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-21-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)23-15-14-22-13-12-20/h4-11,21H,12-15H2,1H3.
What are the key properties of 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline?
4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline has a molecular weight of 313.37 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline is sourced from PubChem (CID 16659247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).