4-[2-(2,3-dimethylphenoxy)ethyl]morpholine

C14H21NO2 — CID 867229

IUPAC4-[2-(2,3-dimethylphenoxy)ethyl]morpholine
SMILESCc1cccc(OCCN2CCOCC2)c1C
InChIInChI=1S/C14H21NO2/c1-12-4-3-5-14(13(12)2)17-11-8-15-6-9-16-10-7-15/h3-5H,6-11H2,1-2H3
InChIKeyGNGXKQMVTQITME-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds4

About 4-[2-(2,3-dimethylphenoxy)ethyl]morpholine

4-[2-(2,3-dimethylphenoxy)ethyl]morpholine (PubChem CID 867229) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[2-(2,3-dimethylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2,3-dimethylphenoxy)ethyl]morpholine
PubChem CID867229
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[2-(2,3-dimethylphenoxy)ethyl]morpholine
SMILESCc1cccc(OCCN2CCOCC2)c1C
InChIInChI=1S/C14H21NO2/c1-12-4-3-5-14(13(12)2)17-11-8-15-6-9-16-10-7-15/h3-5H,6-11H2,1-2H3
InChIKeyGNGXKQMVTQITME-UHFFFAOYSA-N
XLogP2.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dimethylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(2,3-dimethylphenoxy)ethyl]morpholine (CID 867229) is 4-[2-(2,3-dimethylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2,3-dimethylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(2,3-dimethylphenoxy)ethyl]morpholine is Cc1cccc(OCCN2CCOCC2)c1C.
What is the InChIKey of 4-[2-(2,3-dimethylphenoxy)ethyl]morpholine?
The InChIKey is GNGXKQMVTQITME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-4-3-5-14(13(12)2)17-11-8-15-6-9-16-10-7-15/h3-5H,6-11H2,1-2H3.
What are the key properties of 4-[2-(2,3-dimethylphenoxy)ethyl]morpholine?
4-[2-(2,3-dimethylphenoxy)ethyl]morpholine has a molecular weight of 235.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethylphenoxy)ethyl]morpholine is sourced from PubChem (CID 867229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).