2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone

C13H17FN2O — CID 119329380

IUPAC2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC1CC(c2cccc(F)c2)N(C(=O)CN)C1
InChIInChI=1S/C13H17FN2O/c1-9-5-12(16(8-9)13(17)7-15)10-3-2-4-11(14)6-10/h2-4,6,9,12H,5,7-8,15H2,1H3
InChIKeyZJTOIHUYCZTUFV-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.69
Rot. Bonds2

About 2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone

2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone (PubChem CID 119329380) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
PubChem CID119329380
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC1CC(c2cccc(F)c2)N(C(=O)CN)C1
InChIInChI=1S/C13H17FN2O/c1-9-5-12(16(8-9)13(17)7-15)10-3-2-4-11(14)6-10/h2-4,6,9,12H,5,7-8,15H2,1H3
InChIKeyZJTOIHUYCZTUFV-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379
7-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119793846
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119793860
4-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120592747
1-[(2R,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95979608
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119793865
(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 119329386
2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
CID 136528712
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119793879
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794067
1-[2-[(2S,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 129469988
4-[[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023377

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone (CID 119329380) is 2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone is CC1CC(c2cccc(F)c2)N(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone?
The InChIKey is ZJTOIHUYCZTUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-5-12(16(8-9)13(17)7-15)10-3-2-4-11(14)6-10/h2-4,6,9,12H,5,7-8,15H2,1H3.
What are the key properties of 2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone?
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone has a molecular weight of 236.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 119329380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).