4-(4-methylphenyl)morpholine

C11H15NO — CID 766255

IUPAC4-(4-methylphenyl)morpholine
SMILESCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H15NO/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5H,6-9H2,1H3
InChIKeyOLAFVASCPJETBP-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.83
Rot. Bonds1

About 4-(4-methylphenyl)morpholine

4-(4-methylphenyl)morpholine (PubChem CID 766255) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-methylphenyl)morpholine
PubChem CID766255
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-(4-methylphenyl)morpholine
SMILESCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C11H15NO/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5H,6-9H2,1H3
InChIKeyOLAFVASCPJETBP-UHFFFAOYSA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)morpholine?
The IUPAC name of 4-(4-methylphenyl)morpholine (CID 766255) is 4-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-(4-methylphenyl)morpholine?
The canonical SMILES for 4-(4-methylphenyl)morpholine is Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)morpholine?
The InChIKey is OLAFVASCPJETBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5H,6-9H2,1H3.
What are the key properties of 4-(4-methylphenyl)morpholine?
4-(4-methylphenyl)morpholine has a molecular weight of 177.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)morpholine is sourced from PubChem (CID 766255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).