1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one

C15H20F2N2O2 — CID 60936413

IUPAC1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C15H20F2N2O2/c1-11(10-19-8-4-7-14(19)20)18-9-12-5-2-3-6-13(12)21-15(16)17/h2-3,5-6,11,15,18H,4,7-10H2,1H3
InChIKeyMFVWOXHIJNCHJL-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.39
Rot. Bonds7

About 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one

1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 60936413) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
PubChem CID60936413
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C15H20F2N2O2/c1-11(10-19-8-4-7-14(19)20)18-9-12-5-2-3-6-13(12)21-15(16)17/h2-3,5-6,11,15,18H,4,7-10H2,1H3
InChIKeyMFVWOXHIJNCHJL-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
N-[[2-(difluoromethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675802
1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 103943702
1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
CID 103792650
1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 80700350
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
N-[[2-(difluoromethoxy)phenyl]methyl]-1-ethylsulfonylpropan-2-amine
CID 115626137
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94184899
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78870413
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43791734
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one (CID 60936413) is 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is MFVWOXHIJNCHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-11(10-19-8-4-7-14(19)20)18-9-12-5-2-3-6-13(12)21-15(16)17/h2-3,5-6,11,15,18H,4,7-10H2,1H3.
What are the key properties of 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one?
1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 298.33 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60936413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).