2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone

C14H20N2O — CID 55029859

IUPAC2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN2CCC(N)C2)cc1
InChIInChI=1S/C14H20N2O/c1-2-11-3-5-12(6-4-11)14(17)10-16-8-7-13(15)9-16/h3-6,13H,2,7-10,15H2,1H3
InChIKeyXRXQUTJKHZYQAJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.46
Rot. Bonds4

About 2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone

2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone (PubChem CID 55029859) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone
PubChem CID55029859
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN2CCC(N)C2)cc1
InChIInChI=1S/C14H20N2O/c1-2-11-3-5-12(6-4-11)14(17)10-16-8-7-13(15)9-16/h3-6,13H,2,7-10,15H2,1H3
InChIKeyXRXQUTJKHZYQAJ-UHFFFAOYSA-N
XLogP1.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 62036122
2-(3-aminopyrrolidin-1-yl)-1-(3,4-dimethylphenyl)ethanone
CID 56828796
1-(4-ethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836545
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62063801
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223659

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone (CID 55029859) is 2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)CN2CCC(N)C2)cc1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone?
The InChIKey is XRXQUTJKHZYQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11-3-5-12(6-4-11)14(17)10-16-8-7-13(15)9-16/h3-6,13H,2,7-10,15H2,1H3.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone?
2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.46, 4 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-(4-ethylphenyl)ethanone is sourced from PubChem (CID 55029859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).