1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one

C15H21FN2O — CID 103943702

IUPAC1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1ccc(F)cc1CNC(C)CN1CCCC1=O
InChIInChI=1S/C15H21FN2O/c1-11-5-6-14(16)8-13(11)9-17-12(2)10-18-7-3-4-15(18)19/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3
InChIKeyLVOZTHLWIXFGLW-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.23
Rot. Bonds5

About 1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one

1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 103943702) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
PubChem CID103943702
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1ccc(F)cc1CNC(C)CN1CCCC1=O
InChIInChI=1S/C15H21FN2O/c1-11-5-6-14(16)8-13(11)9-17-12(2)10-18-7-3-4-15(18)19/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3
InChIKeyLVOZTHLWIXFGLW-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
CID 103792650
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
4-fluoro-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 115745779
1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 60936413
1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 80700350
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 55114701
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 62096164
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94184899
1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 103675388

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one (CID 103943702) is 1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one is Cc1ccc(F)cc1CNC(C)CN1CCCC1=O.
What is the InChIKey of 1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is LVOZTHLWIXFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-5-6-14(16)8-13(11)9-17-12(2)10-18-7-3-4-15(18)19/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 264.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 103943702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).