4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one

C21H25FN2O3 — CID 155239737

IUPAC4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one
SMILESO=C1COC(CO)(CCNCCc2ccccc2)CN1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c22-18-6-8-19(9-7-18)24-15-21(16-25,27-14-20(24)26)11-13-23-12-10-17-4-2-1-3-5-17/h1-9,23,25H,10-16H2
InChIKeyYLCPOARUXAMNSJ-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.14
Rot. Bonds8

About 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one

4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one (PubChem CID 155239737) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one
PubChem CID155239737
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one
SMILESO=C1COC(CO)(CCNCCc2ccccc2)CN1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c22-18-6-8-19(9-7-18)24-15-21(16-25,27-14-20(24)26)11-13-23-12-10-17-4-2-1-3-5-17/h1-9,23,25H,10-16H2
InChIKeyYLCPOARUXAMNSJ-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one (CID 155239737) is 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one is O=C1COC(CO)(CCNCCc2ccccc2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one?
The InChIKey is YLCPOARUXAMNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c22-18-6-8-19(9-7-18)24-15-21(16-25,27-14-20(24)26)11-13-23-12-10-17-4-2-1-3-5-17/h1-9,23,25H,10-16H2.
What are the key properties of 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one?
4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one has a molecular weight of 372.44 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(hydroxymethyl)-6-[2-(2-phenylethylamino)ethyl]morpholin-3-one is sourced from PubChem (CID 155239737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).