4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one

C13H17FN2O2 — CID 168659342

IUPAC4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
SMILESCCOc1cc(F)ccc1N1CC(CN)CC1=O
InChIInChI=1S/C13H17FN2O2/c1-2-18-12-6-10(14)3-4-11(12)16-8-9(7-15)5-13(16)17/h3-4,6,9H,2,5,7-8,15H2,1H3
InChIKeyIJNGIFPLCIJEAZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.54
Rot. Bonds4

About 4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one (PubChem CID 168659342) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
PubChem CID168659342
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
SMILESCCOc1cc(F)ccc1N1CC(CN)CC1=O
InChIInChI=1S/C13H17FN2O2/c1-2-18-12-6-10(14)3-4-11(12)16-8-9(7-15)5-13(16)17/h3-4,6,9H,2,5,7-8,15H2,1H3
InChIKeyIJNGIFPLCIJEAZ-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168702045
4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168684186
1-(2-ethoxy-4-fluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168500548
4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 168659169
4-(aminomethyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168660629
4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one
CID 168660608
4-(aminomethyl)-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168659436
S-[[1-(4-fluoro-2-propoxyphenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666449
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzonitrile
CID 168660605
4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one
CID 168660883
4-(chloromethyl)-1-(5-fluoro-2-methoxyphenyl)pyrrolidin-2-one
CID 168507511
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one (CID 168659342) is 4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one is CCOc1cc(F)ccc1N1CC(CN)CC1=O.
What is the InChIKey of 4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is IJNGIFPLCIJEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-18-12-6-10(14)3-4-11(12)16-8-9(7-15)5-13(16)17/h3-4,6,9H,2,5,7-8,15H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168659342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).