2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol

C25H28FN3O3 — CID 66806407

IUPAC2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol
SMILESOCCc1cc(NCCN2CCOCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H28FN3O3/c26-20-3-7-24(8-4-20)32-23-5-1-19(2-6-23)25-18-22(17-21(28-25)9-14-30)27-10-11-29-12-15-31-16-13-29/h1-8,17-18,30H,9-16H2,(H,27,28)
InChIKeyXBDHKAFJCNFFAY-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.96
Rot. Bonds9

About 2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol

2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol (PubChem CID 66806407) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol
PubChem CID66806407
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol
SMILESOCCc1cc(NCCN2CCOCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H28FN3O3/c26-20-3-7-24(8-4-20)32-23-5-1-19(2-6-23)25-18-22(17-21(28-25)9-14-30)27-10-11-29-12-15-31-16-13-29/h1-8,17-18,30H,9-16H2,(H,27,28)
InChIKeyXBDHKAFJCNFFAY-UHFFFAOYSA-N
XLogP3.96
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol?
The IUPAC name of 2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol (CID 66806407) is 2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol?
The canonical SMILES for 2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol is OCCc1cc(NCCN2CCOCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol?
The InChIKey is XBDHKAFJCNFFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c26-20-3-7-24(8-4-20)32-23-5-1-19(2-6-23)25-18-22(17-21(28-25)9-14-30)27-10-11-29-12-15-31-16-13-29/h1-8,17-18,30H,9-16H2,(H,27,28).
What are the key properties of 2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol?
2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol has a molecular weight of 437.52 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(4-fluorophenoxy)phenyl]-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]ethanol is sourced from PubChem (CID 66806407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).