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

C14H21NO2 — CID 2057395

IUPAC4-[3-(3-methylphenoxy)propyl]morpholine
SMILESCc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C14H21NO2/c1-13-4-2-5-14(12-13)17-9-3-6-15-7-10-16-11-8-15/h2,4-5,12H,3,6-11H2,1H3
InChIKeySQTQOYAEBCSJBS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds5

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

4-[3-(3-methylphenoxy)propyl]morpholine (PubChem CID 2057395) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[3-(3-methylphenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-methylphenoxy)propyl]morpholine
PubChem CID2057395
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[3-(3-methylphenoxy)propyl]morpholine
SMILESCc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C14H21NO2/c1-13-4-2-5-14(12-13)17-9-3-6-15-7-10-16-11-8-15/h2,4-5,12H,3,6-11H2,1H3
InChIKeySQTQOYAEBCSJBS-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'}

Analyze 4-[3-(3-methylphenoxy)propyl]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-[3-(3-methylphenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(3-methylphenoxy)propyl]morpholine (CID 2057395) is 4-[3-(3-methylphenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-methylphenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(3-methylphenoxy)propyl]morpholine is Cc1cccc(OCCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-(3-methylphenoxy)propyl]morpholine?
The InChIKey is SQTQOYAEBCSJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13-4-2-5-14(12-13)17-9-3-6-15-7-10-16-11-8-15/h2,4-5,12H,3,6-11H2,1H3.
What are the key properties of 4-[3-(3-methylphenoxy)propyl]morpholine?
4-[3-(3-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-(3-methylphenoxy)propyl]morpholine is sourced from PubChem (CID 2057395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).