5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one

C13H17FN2O — CID 60726591

IUPAC5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
SMILESCC(NCC1CCC(=O)N1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9(10-3-2-4-11(14)7-10)15-8-12-5-6-13(17)16-12/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyAIAXDRQMZDXIDW-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.75
Rot. Bonds4

About 5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one

5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one (PubChem CID 60726591) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
PubChem CID60726591
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
SMILESCC(NCC1CCC(=O)N1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9(10-3-2-4-11(14)7-10)15-8-12-5-6-13(17)16-12/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyAIAXDRQMZDXIDW-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726637
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
CID 107529754
5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one
CID 55246811
5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 103902371
5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
CID 107529769
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one (CID 60726591) is 5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one is CC(NCC1CCC(=O)N1)c1cccc(F)c1.
What is the InChIKey of 5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is AIAXDRQMZDXIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(10-3-2-4-11(14)7-10)15-8-12-5-6-13(17)16-12/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17).
What are the key properties of 5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one?
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 236.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 60726591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).