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

C16H25NO3 — CID 2847345

IUPAC4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine
SMILESCc1cccc(OCCOCCN2CCOCC2)c1C
InChIInChI=1S/C16H25NO3/c1-14-4-3-5-16(15(14)2)20-13-12-19-11-8-17-6-9-18-10-7-17/h3-5H,6-13H2,1-2H3
InChIKeyJJILIDFXGMEVHH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.03
Rot. Bonds7

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

4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine (PubChem CID 2847345) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine
PubChem CID2847345
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine
SMILESCc1cccc(OCCOCCN2CCOCC2)c1C
InChIInChI=1S/C16H25NO3/c1-14-4-3-5-16(15(14)2)20-13-12-19-11-8-17-6-9-18-10-7-17/h3-5H,6-13H2,1-2H3
InChIKeyJJILIDFXGMEVHH-UHFFFAOYSA-N
XLogP2.03
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine (CID 2847345) is 4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine is Cc1cccc(OCCOCCN2CCOCC2)c1C.
What is the InChIKey of 4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine?
The InChIKey is JJILIDFXGMEVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-14-4-3-5-16(15(14)2)20-13-12-19-11-8-17-6-9-18-10-7-17/h3-5H,6-13H2,1-2H3.
What are the key properties of 4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine?
4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine has a molecular weight of 279.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]morpholine is sourced from PubChem (CID 2847345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).