2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine

C13H18FNO2 — CID 82292465

IUPAC2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine
SMILESCCOc1ccc(C2CNC(C)CO2)cc1F
InChIInChI=1S/C13H18FNO2/c1-3-16-12-5-4-10(6-11(12)14)13-7-15-9(2)8-17-13/h4-6,9,13,15H,3,7-8H2,1-2H3
InChIKeyZZXUMHCGCJHKHL-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.27
Rot. Bonds3

About 2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine

2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine (PubChem CID 82292465) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine
PubChem CID82292465
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine
SMILESCCOc1ccc(C2CNC(C)CO2)cc1F
InChIInChI=1S/C13H18FNO2/c1-3-16-12-5-4-10(6-11(12)14)13-7-15-9(2)8-17-13/h4-6,9,13,15H,3,7-8H2,1-2H3
InChIKeyZZXUMHCGCJHKHL-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine?
The IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine (CID 82292465) is 2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine.
What is the SMILES notation for 2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine?
The canonical SMILES for 2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine is CCOc1ccc(C2CNC(C)CO2)cc1F.
What is the InChIKey of 2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine?
The InChIKey is ZZXUMHCGCJHKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-16-12-5-4-10(6-11(12)14)13-7-15-9(2)8-17-13/h4-6,9,13,15H,3,7-8H2,1-2H3.
What are the key properties of 2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine?
2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine has a molecular weight of 239.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine is sourced from PubChem (CID 82292465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).