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

C15H23NO2 — CID 2057787

IUPAC4-[3-(2,4-dimethylphenoxy)propyl]morpholine
SMILESCc1ccc(OCCCN2CCOCC2)c(C)c1
InChIInChI=1S/C15H23NO2/c1-13-4-5-15(14(2)12-13)18-9-3-6-16-7-10-17-11-8-16/h4-5,12H,3,6-11H2,1-2H3
InChIKeyDDMUJVAMLHJAJW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.40
Rot. Bonds5

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

4-[3-(2,4-dimethylphenoxy)propyl]morpholine (PubChem CID 2057787) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[3-(2,4-dimethylphenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2,4-dimethylphenoxy)propyl]morpholine
PubChem CID2057787
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[3-(2,4-dimethylphenoxy)propyl]morpholine
SMILESCc1ccc(OCCCN2CCOCC2)c(C)c1
InChIInChI=1S/C15H23NO2/c1-13-4-5-15(14(2)12-13)18-9-3-6-16-7-10-17-11-8-16/h4-5,12H,3,6-11H2,1-2H3
InChIKeyDDMUJVAMLHJAJW-UHFFFAOYSA-N
XLogP2.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dimethylphenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(2,4-dimethylphenoxy)propyl]morpholine (CID 2057787) is 4-[3-(2,4-dimethylphenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(2,4-dimethylphenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(2,4-dimethylphenoxy)propyl]morpholine is Cc1ccc(OCCCN2CCOCC2)c(C)c1.
What is the InChIKey of 4-[3-(2,4-dimethylphenoxy)propyl]morpholine?
The InChIKey is DDMUJVAMLHJAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-4-5-15(14(2)12-13)18-9-3-6-16-7-10-17-11-8-16/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of 4-[3-(2,4-dimethylphenoxy)propyl]morpholine?
4-[3-(2,4-dimethylphenoxy)propyl]morpholine has a molecular weight of 249.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dimethylphenoxy)propyl]morpholine is sourced from PubChem (CID 2057787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).