5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine

C21H25FN2O4 — CID 54586250

IUPAC5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cn1
InChIInChI=1S/C21H25FN2O4/c1-24(2)21-6-3-16(15-23-21)20-14-17-13-18(4-5-19(17)28-20)27-12-11-26-10-9-25-8-7-22/h3-6,13-15H,7-12H2,1-2H3
InChIKeyUVRONWNNEUZNMO-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.94
Rot. Bonds11

About 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine

5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 54586250) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID54586250
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cn1
InChIInChI=1S/C21H25FN2O4/c1-24(2)21-6-3-16(15-23-21)20-14-17-13-18(4-5-19(17)28-20)27-12-11-26-10-9-25-8-7-22/h3-6,13-15H,7-12H2,1-2H3
InChIKeyUVRONWNNEUZNMO-UHFFFAOYSA-N
XLogP3.94
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
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 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine (CID 54586250) is 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cn1.
What is the InChIKey of 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is UVRONWNNEUZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-24(2)21-6-3-16(15-23-21)20-14-17-13-18(4-5-19(17)28-20)27-12-11-26-10-9-25-8-7-22/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine?
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 388.44 g/mol, XLogP of 3.94, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 54586250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).