4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine

C14H21NO3 — CID 47053041

IUPAC4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine
SMILESCOc1ccccc1OCCN1CCOC(C)C1
InChIInChI=1S/C14H21NO3/c1-12-11-15(7-9-17-12)8-10-18-14-6-4-3-5-13(14)16-2/h3-6,12H,7-11H2,1-2H3
InChIKeyBFPFVIJURMYMLS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds5

About 4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine

4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine (PubChem CID 47053041) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine
PubChem CID47053041
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine
SMILESCOc1ccccc1OCCN1CCOC(C)C1
InChIInChI=1S/C14H21NO3/c1-12-11-15(7-9-17-12)8-10-18-14-6-4-3-5-13(14)16-2/h3-6,12H,7-11H2,1-2H3
InChIKeyBFPFVIJURMYMLS-UHFFFAOYSA-N
XLogP1.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine?
The IUPAC name of 4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine (CID 47053041) is 4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine.
What is the SMILES notation for 4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine?
The canonical SMILES for 4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine is COc1ccccc1OCCN1CCOC(C)C1.
What is the InChIKey of 4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine?
The InChIKey is BFPFVIJURMYMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-12-11-15(7-9-17-12)8-10-18-14-6-4-3-5-13(14)16-2/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine?
4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine has a molecular weight of 251.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine is sourced from PubChem (CID 47053041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).