1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one

C17H25FN2O2 — CID 45252200

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
SMILESCOCCNCCC1CCC(=O)N1Cc1cc(F)ccc1C
InChIInChI=1S/C17H25FN2O2/c1-13-3-4-15(18)11-14(13)12-20-16(5-6-17(20)21)7-8-19-9-10-22-2/h3-4,11,16,19H,5-10,12H2,1-2H3
InChIKeyHTSCCLXEKNXYPD-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.25
Rot. Bonds8

About 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one

1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one (PubChem CID 45252200) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
PubChem CID45252200
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
SMILESCOCCNCCC1CCC(=O)N1Cc1cc(F)ccc1C
InChIInChI=1S/C17H25FN2O2/c1-13-3-4-15(18)11-14(13)12-20-16(5-6-17(20)21)7-8-19-9-10-22-2/h3-4,11,16,19H,5-10,12H2,1-2H3
InChIKeyHTSCCLXEKNXYPD-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
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 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one (CID 45252200) is 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one is COCCNCCC1CCC(=O)N1Cc1cc(F)ccc1C.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is HTSCCLXEKNXYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13-3-4-15(18)11-14(13)12-20-16(5-6-17(20)21)7-8-19-9-10-22-2/h3-4,11,16,19H,5-10,12H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 308.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45252200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).