5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one

C13H17FN2O — CID 60727360

IUPAC5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
SMILESCc1ccc(CNCC2CCC(=O)N2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(6-12(9)14)7-15-8-11-4-5-13(17)16-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyJYYREWDJSOMWSX-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.50
Rot. Bonds4

About 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one

5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 60727360) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
PubChem CID60727360
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
SMILESCc1ccc(CNCC2CCC(=O)N2)cc1F
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10(6-12(9)14)7-15-8-11-4-5-13(17)16-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyJYYREWDJSOMWSX-UHFFFAOYSA-N
XLogP1.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 104687017
5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727440
5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one
CID 115524016
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]pyrrolidin-2-one
CID 60727716
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 107529441
5-[[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]methyl]pyrrolidin-2-one
CID 107342374
5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 171489768
5-methyl-4-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103254265
(5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 141078098
5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
CID 60727737
5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529325

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one (CID 60727360) is 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one is Cc1ccc(CNCC2CCC(=O)N2)cc1F.
What is the InChIKey of 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is JYYREWDJSOMWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-2-3-10(6-12(9)14)7-15-8-11-4-5-13(17)16-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one?
5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 236.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 60727360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).