2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone

C14H20N2O — CID 56828796

IUPAC2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CN2CCC(N)C2)cc1C
InChIInChI=1S/C14H20N2O/c1-10-3-4-12(7-11(10)2)14(17)9-16-6-5-13(15)8-16/h3-4,7,13H,5-6,8-9,15H2,1-2H3
InChIKeyFWLFZTVKZVIITR-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.52
Rot. Bonds3

About 2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone

2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone (PubChem CID 56828796) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone
PubChem CID56828796
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CN2CCC(N)C2)cc1C
InChIInChI=1S/C14H20N2O/c1-10-3-4-12(7-11(10)2)14(17)9-16-6-5-13(15)8-16/h3-4,7,13H,5-6,8-9,15H2,1-2H3
InChIKeyFWLFZTVKZVIITR-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(diethylamino)pyrrolidin-1-yl]-1-(3,4-dimethylphenyl)ethanone
CID 63164662
2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 55029859
1-(3,4-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63610782
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3,4-dimethylphenyl)ethanone
CID 63150899
1-(3,4-dimethylphenyl)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82016086
2-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857026
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 62036122
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131
2-(4-aminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56828695

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone (CID 56828796) is 2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CN2CCC(N)C2)cc1C.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone?
The InChIKey is FWLFZTVKZVIITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-3-4-12(7-11(10)2)14(17)9-16-6-5-13(15)8-16/h3-4,7,13H,5-6,8-9,15H2,1-2H3.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone?
2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.52, 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-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 56828796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).