4-[3-(4-methylphenoxy)propyl]morpholine

C14H21NO2 — CID 2202870

IUPAC4-[3-(4-methylphenoxy)propyl]morpholine
SMILESCc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NO2/c1-13-3-5-14(6-4-13)17-10-2-7-15-8-11-16-12-9-15/h3-6H,2,7-12H2,1H3
InChIKeyITEJZLHDSPJNRG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds5

About 4-[3-(4-methylphenoxy)propyl]morpholine

4-[3-(4-methylphenoxy)propyl]morpholine (PubChem CID 2202870) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[3-(4-methylphenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylphenoxy)propyl]morpholine
PubChem CID2202870
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[3-(4-methylphenoxy)propyl]morpholine
SMILESCc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21NO2/c1-13-3-5-14(6-4-13)17-10-2-7-15-8-11-16-12-9-15/h3-6H,2,7-12H2,1H3
InChIKeyITEJZLHDSPJNRG-UHFFFAOYSA-N
XLogP2.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
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-(4-methylphenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(4-methylphenoxy)propyl]morpholine (CID 2202870) is 4-[3-(4-methylphenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-methylphenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(4-methylphenoxy)propyl]morpholine is Cc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-(4-methylphenoxy)propyl]morpholine?
The InChIKey is ITEJZLHDSPJNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13-3-5-14(6-4-13)17-10-2-7-15-8-11-16-12-9-15/h3-6H,2,7-12H2,1H3.
What are the key properties of 4-[3-(4-methylphenoxy)propyl]morpholine?
4-[3-(4-methylphenoxy)propyl]morpholine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenoxy)propyl]morpholine is sourced from PubChem (CID 2202870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).