3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine

C15H23NO2 — CID 116685857

IUPAC3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine
SMILESCCOc1ccc(CCC2COCC(C)N2)cc1
InChIInChI=1S/C15H23NO2/c1-3-18-15-8-5-13(6-9-15)4-7-14-11-17-10-12(2)16-14/h5-6,8-9,12,14,16H,3-4,7,10-11H2,1-2H3
InChIKeyXUJHZZFZOJMLLC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.39
Rot. Bonds5

About 3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine

3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine (PubChem CID 116685857) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine.

Molecular Properties

Compound Name3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine
PubChem CID116685857
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine
SMILESCCOc1ccc(CCC2COCC(C)N2)cc1
InChIInChI=1S/C15H23NO2/c1-3-18-15-8-5-13(6-9-15)4-7-14-11-17-10-12(2)16-14/h5-6,8-9,12,14,16H,3-4,7,10-11H2,1-2H3
InChIKeyXUJHZZFZOJMLLC-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine?
The IUPAC name of 3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine (CID 116685857) is 3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine.
What is the SMILES notation for 3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine?
The canonical SMILES for 3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine is CCOc1ccc(CCC2COCC(C)N2)cc1.
What is the InChIKey of 3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine?
The InChIKey is XUJHZZFZOJMLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-15-8-5-13(6-9-15)4-7-14-11-17-10-12(2)16-14/h5-6,8-9,12,14,16H,3-4,7,10-11H2,1-2H3.
What are the key properties of 3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine?
3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine has a molecular weight of 249.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxyphenyl)ethyl]-5-methylmorpholine is sourced from PubChem (CID 116685857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).