2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone

C12H15FN2O — CID 62069531

IUPAC2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
SMILESNC1CCN(CC(=O)c2ccccc2F)C1
InChIInChI=1S/C12H15FN2O/c13-11-4-2-1-3-10(11)12(16)8-15-6-5-9(14)7-15/h1-4,9H,5-8,14H2
InChIKeyDQTAUZURXXDJPL-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.04
Rot. Bonds3

About 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone

2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone (PubChem CID 62069531) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
PubChem CID62069531
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
SMILESNC1CCN(CC(=O)c2ccccc2F)C1
InChIInChI=1S/C12H15FN2O/c13-11-4-2-1-3-10(11)12(16)8-15-6-5-9(14)7-15/h1-4,9H,5-8,14H2
InChIKeyDQTAUZURXXDJPL-UHFFFAOYSA-N
XLogP1.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone 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

2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
1-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107227995
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393870
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)ethanone
CID 79943016
1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone (CID 62069531) is 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone is NC1CCN(CC(=O)c2ccccc2F)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
The InChIKey is DQTAUZURXXDJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-4-2-1-3-10(11)12(16)8-15-6-5-9(14)7-15/h1-4,9H,5-8,14H2.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone has a molecular weight of 222.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 62069531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).