4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride

C15H24ClNO2 — CID 24761453

IUPAC4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride
SMILESCc1cccc(C)c1OCCCN1CCOCC1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-13-5-3-6-14(2)15(13)18-10-4-7-16-8-11-17-12-9-16;/h3,5-6H,4,7-12H2,1-2H3;1H
InChIKeyMYUAUNIMWRPIEC-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.83
Rot. Bonds5

About 4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride

4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride (PubChem CID 24761453) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride
PubChem CID24761453
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride
SMILESCc1cccc(C)c1OCCCN1CCOCC1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-13-5-3-6-14(2)15(13)18-10-4-7-16-8-11-17-12-9-16;/h3,5-6H,4,7-12H2,1-2H3;1H
InChIKeyMYUAUNIMWRPIEC-UHFFFAOYSA-N
XLogP2.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 52.83
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-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride (CID 24761453) is 4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride is Cc1cccc(C)c1OCCCN1CCOCC1.Cl.
What is the InChIKey of 4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride?
The InChIKey is MYUAUNIMWRPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-13-5-3-6-14(2)15(13)18-10-4-7-16-8-11-17-12-9-16;/h3,5-6H,4,7-12H2,1-2H3;1H.
What are the key properties of 4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride?
4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dimethylphenoxy)propyl]morpholine;hydrochloride is sourced from PubChem (CID 24761453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).