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

C20H22FNO2 — CID 16659248

IUPAC4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C#Cc2ccc(OCCOCCF)cc2)cc1
InChIInChI=1S/C20H22FNO2/c1-22(2)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)24-16-15-23-14-13-21/h5-12H,13-16H2,1-2H3
InChIKeyAAMQLLDYAXISEB-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.52
Rot. Bonds7

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

4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline (PubChem CID 16659248) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline
PubChem CID16659248
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C#Cc2ccc(OCCOCCF)cc2)cc1
InChIInChI=1S/C20H22FNO2/c1-22(2)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)24-16-15-23-14-13-21/h5-12H,13-16H2,1-2H3
InChIKeyAAMQLLDYAXISEB-UHFFFAOYSA-N
XLogP3.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
1-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,4-pentadien-3-one
CID 869055
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,N-dimethylaniline
CID 76283253
1-(2-Fluorophenyl)-4-[4-(3-fluoropropoxy)benzyl]piperazine
CID 3726733
4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N-methylaniline
CID 16659247
(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
1-p-Tolyloxy-3-(4-p-tolyl-piperazin-1-yl)-propan-2-ol
CID 260296
Cambridge id 5268729
CID 785703

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline (CID 16659248) is 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline is CN(C)c1ccc(C#Cc2ccc(OCCOCCF)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline?
The InChIKey is AAMQLLDYAXISEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-22(2)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)24-16-15-23-14-13-21/h5-12H,13-16H2,1-2H3.
What are the key properties of 4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline?
4-[2-[4-[2-(2-fluoroethoxy)ethoxy]phenyl]ethynyl]-N,N-dimethylaniline has a molecular weight of 327.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 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,N-dimethylaniline is sourced from PubChem (CID 16659248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).