2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol

C15H22FNO2 — CID 82975113

IUPAC2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol
SMILESCCC1COC(C)CN1C(C)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO2/c1-4-13-9-19-10(2)8-17(13)11(3)14-6-5-12(16)7-15(14)18/h5-7,10-11,13,18H,4,8-9H2,1-3H3
InChIKeyMMXIHXFXPZOSJV-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.09
Rot. Bonds3

About 2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol

2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol (PubChem CID 82975113) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol
PubChem CID82975113
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol
SMILESCCC1COC(C)CN1C(C)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO2/c1-4-13-9-19-10(2)8-17(13)11(3)14-6-5-12(16)7-15(14)18/h5-7,10-11,13,18H,4,8-9H2,1-3H3
InChIKeyMMXIHXFXPZOSJV-UHFFFAOYSA-N
XLogP3.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol (CID 82975113) is 2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol is CCC1COC(C)CN1C(C)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol?
The InChIKey is MMXIHXFXPZOSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-13-9-19-10(2)8-17(13)11(3)14-6-5-12(16)7-15(14)18/h5-7,10-11,13,18H,4,8-9H2,1-3H3.
What are the key properties of 2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol?
2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol has a molecular weight of 267.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol is sourced from PubChem (CID 82975113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).