3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one

C15H19FN2O2 — CID 107696327

IUPAC3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Oc2ccc(F)cc2CNC2CC2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-18-7-6-14(15(18)19)20-13-5-2-11(16)8-10(13)9-17-12-3-4-12/h2,5,8,12,14,17H,3-4,6-7,9H2,1H3
InChIKeyGNGYZVCUMRRTOY-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.69
Rot. Bonds5

About 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one

3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one (PubChem CID 107696327) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one
PubChem CID107696327
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Oc2ccc(F)cc2CNC2CC2)C1=O
InChIInChI=1S/C15H19FN2O2/c1-18-7-6-14(15(18)19)20-13-5-2-11(16)8-10(13)9-17-12-3-4-12/h2,5,8,12,14,17H,3-4,6-7,9H2,1H3
InChIKeyGNGYZVCUMRRTOY-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one
CID 107696564
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
CID 107696451
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696313
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696420
1-methyl-3-naphthalen-1-yloxypyrrolidin-2-one
CID 64763861
tert-butyl N-[2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]ethyl]carbamate
CID 170985629

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one (CID 107696327) is 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one is CN1CCC(Oc2ccc(F)cc2CNC2CC2)C1=O.
What is the InChIKey of 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one?
The InChIKey is GNGYZVCUMRRTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-18-7-6-14(15(18)19)20-13-5-2-11(16)8-10(13)9-17-12-3-4-12/h2,5,8,12,14,17H,3-4,6-7,9H2,1H3.
What are the key properties of 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one?
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one has a molecular weight of 278.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 107696327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).