4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline

C23H28FNO3 — CID 143693515

IUPAC4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline
SMILESCc1cc(C#Cc2ccc(N(C)C)cc2)ccc1OCCOCCOCCF
InChIInChI=1S/C23H28FNO3/c1-19-18-21(5-4-20-6-9-22(10-7-20)25(2)3)8-11-23(19)28-17-16-27-15-14-26-13-12-24/h6-11,18H,12-17H2,1-3H3
InChIKeyLUCLXEYTVUVYEN-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.84
Rot. Bonds10

About 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline

4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline (PubChem CID 143693515) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline
PubChem CID143693515
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Name4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline
SMILESCc1cc(C#Cc2ccc(N(C)C)cc2)ccc1OCCOCCOCCF
InChIInChI=1S/C23H28FNO3/c1-19-18-21(5-4-20-6-9-22(10-7-20)25(2)3)8-11-23(19)28-17-16-27-15-14-26-13-12-24/h6-11,18H,12-17H2,1-3H3
InChIKeyLUCLXEYTVUVYEN-UHFFFAOYSA-N
XLogP3.84
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
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

4-[2-[4-(2-fluoroethoxy)-3-methylphenyl]ethynyl]phenol
CID 59214139
4-[4-(2-fluoroethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 80694952
3-[4-(2-ethoxyethoxy)-3-methylphenyl]prop-2-yn-1-amine
CID 63214723
4-[3-methyl-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 63214842
4-[4-(2-butoxyethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 63214238
3-[4-(2-ethoxyethoxy)-3-methylphenyl]prop-2-yn-1-ol
CID 63214275
1-(difluoromethoxy)-4-[2-[4-fluoro-3-(2-fluoroethoxy)phenyl]ethynyl]-2-methylbenzene
CID 86627692
4-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]but-3-yn-1-ol
CID 63214502
4-[3-methyl-4-(3,3,3-trifluoropropoxy)phenyl]but-3-yn-1-ol
CID 64565315
4-(3-chloroprop-1-ynyl)-1-[3-(2-methoxyethoxy)propoxy]-2-methylbenzene
CID 103411433
3-[3-methyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]prop-2-yn-1-ol
CID 106455436
4-[2-[4-(2-fluoroethoxy)-3-iodophenyl]ethynyl]-N-methylaniline
CID 59214137

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline (CID 143693515) is 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline is Cc1cc(C#Cc2ccc(N(C)C)cc2)ccc1OCCOCCOCCF.
What is the InChIKey of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline?
The InChIKey is LUCLXEYTVUVYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-19-18-21(5-4-20-6-9-22(10-7-20)25(2)3)8-11-23(19)28-17-16-27-15-14-26-13-12-24/h6-11,18H,12-17H2,1-3H3.
What are the key properties of 4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline?
4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-methylphenyl]ethynyl]-N,N-dimethylaniline has a molecular weight of 385.48 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 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]-3-methylphenyl]ethynyl]-N,N-dimethylaniline is sourced from PubChem (CID 143693515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).