2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine

C21H24FN3O3 — CID 70684828

IUPAC2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine
SMILESCNc1ccc2nc(-c3ccc(OCCOCCOCCF)cc3)cnc2c1
InChIInChI=1S/C21H24FN3O3/c1-23-17-4-7-19-20(14-17)24-15-21(25-19)16-2-5-18(6-3-16)28-13-12-27-11-10-26-9-8-22/h2-7,14-15,23H,8-13H2,1H3
InChIKeyZZPKXJAOXAZBEK-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.72
Rot. Bonds11

About 2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine

2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine (PubChem CID 70684828) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine.

Molecular Properties

Compound Name2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine
PubChem CID70684828
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine
SMILESCNc1ccc2nc(-c3ccc(OCCOCCOCCF)cc3)cnc2c1
InChIInChI=1S/C21H24FN3O3/c1-23-17-4-7-19-20(14-17)24-15-21(25-19)16-2-5-18(6-3-16)28-13-12-27-11-10-26-9-8-22/h2-7,14-15,23H,8-13H2,1H3
InChIKeyZZPKXJAOXAZBEK-UHFFFAOYSA-N
XLogP3.72
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine?
The IUPAC name of 2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine (CID 70684828) is 2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine.
What is the SMILES notation for 2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine?
The canonical SMILES for 2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine is CNc1ccc2nc(-c3ccc(OCCOCCOCCF)cc3)cnc2c1.
What is the InChIKey of 2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine?
The InChIKey is ZZPKXJAOXAZBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-23-17-4-7-19-20(14-17)24-15-21(25-19)16-2-5-18(6-3-16)28-13-12-27-11-10-26-9-8-22/h2-7,14-15,23H,8-13H2,1H3.
What are the key properties of 2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine?
2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine has a molecular weight of 385.44 g/mol, XLogP of 3.72, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-N-methylquinoxalin-6-amine is sourced from PubChem (CID 70684828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).