4-(3-phenoxypropyl)morpholine

C13H19NO2 — CID 2057437

IUPAC4-(3-phenoxypropyl)morpholine
SMILESc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-5-13(6-3-1)16-10-4-7-14-8-11-15-12-9-14/h1-3,5-6H,4,7-12H2
InChIKeyXXPALPCSRNTJKT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.79
Rot. Bonds5

About 4-(3-phenoxypropyl)morpholine

4-(3-phenoxypropyl)morpholine (PubChem CID 2057437) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(3-phenoxypropyl)morpholine.

Molecular Properties

Compound Name4-(3-phenoxypropyl)morpholine
PubChem CID2057437
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(3-phenoxypropyl)morpholine
SMILESc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-5-13(6-3-1)16-10-4-7-14-8-11-15-12-9-14/h1-3,5-6H,4,7-12H2
InChIKeyXXPALPCSRNTJKT-UHFFFAOYSA-N
XLogP1.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.79
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-phenoxypropyl)morpholine?
The IUPAC name of 4-(3-phenoxypropyl)morpholine (CID 2057437) is 4-(3-phenoxypropyl)morpholine.
What is the SMILES notation for 4-(3-phenoxypropyl)morpholine?
The canonical SMILES for 4-(3-phenoxypropyl)morpholine is c1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 4-(3-phenoxypropyl)morpholine?
The InChIKey is XXPALPCSRNTJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-5-13(6-3-1)16-10-4-7-14-8-11-15-12-9-14/h1-3,5-6H,4,7-12H2.
What are the key properties of 4-(3-phenoxypropyl)morpholine?
4-(3-phenoxypropyl)morpholine has a molecular weight of 221.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxypropyl)morpholine is sourced from PubChem (CID 2057437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).