3-ethoxy-4-(phenoxymethyl)morpholine

C13H19NO3 — CID 140967169

IUPAC3-ethoxy-4-(phenoxymethyl)morpholine
SMILESCCOC1COCCN1COc1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-16-13-10-15-9-8-14(13)11-17-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyNSNQEMDBFOPWRD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.72
Rot. Bonds5

About 3-ethoxy-4-(phenoxymethyl)morpholine

3-ethoxy-4-(phenoxymethyl)morpholine (PubChem CID 140967169) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-ethoxy-4-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name3-ethoxy-4-(phenoxymethyl)morpholine
PubChem CID140967169
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-ethoxy-4-(phenoxymethyl)morpholine
SMILESCCOC1COCCN1COc1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-16-13-10-15-9-8-14(13)11-17-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyNSNQEMDBFOPWRD-UHFFFAOYSA-N
XLogP1.72
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(phenoxymethyl)morpholine?
The IUPAC name of 3-ethoxy-4-(phenoxymethyl)morpholine (CID 140967169) is 3-ethoxy-4-(phenoxymethyl)morpholine.
What is the SMILES notation for 3-ethoxy-4-(phenoxymethyl)morpholine?
The canonical SMILES for 3-ethoxy-4-(phenoxymethyl)morpholine is CCOC1COCCN1COc1ccccc1.
What is the InChIKey of 3-ethoxy-4-(phenoxymethyl)morpholine?
The InChIKey is NSNQEMDBFOPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-16-13-10-15-9-8-14(13)11-17-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of 3-ethoxy-4-(phenoxymethyl)morpholine?
3-ethoxy-4-(phenoxymethyl)morpholine has a molecular weight of 237.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(phenoxymethyl)morpholine is sourced from PubChem (CID 140967169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).