1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone

C18H20N2O — CID 116611651

IUPAC1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)C2(c3ccc(N)cc3)CC2)nc1
InChIInChI=1S/C18H20N2O/c1-2-13-3-8-16(20-12-13)11-17(21)18(9-10-18)14-4-6-15(19)7-5-14/h3-8,12H,2,9-11,19H2,1H3
InChIKeyXBDNBUQCBWMEMD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.07
Rot. Bonds5

About 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone

1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone (PubChem CID 116611651) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone
PubChem CID116611651
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)C2(c3ccc(N)cc3)CC2)nc1
InChIInChI=1S/C18H20N2O/c1-2-13-3-8-16(20-12-13)11-17(21)18(9-10-18)14-4-6-15(19)7-5-14/h3-8,12H,2,9-11,19H2,1H3
InChIKeyXBDNBUQCBWMEMD-UHFFFAOYSA-N
XLogP3.07
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116550422
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclopentyl)ethanone
CID 115786162
1-[1-(aminomethyl)cyclobutyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116600244
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619
2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450762
1-[1-(4-aminophenyl)cyclopropyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116611736
2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569629
1-[1-(4-aminophenyl)cyclopropyl]-2-(2,6-dimethylphenyl)ethanone
CID 116611713
1-[1-(4-aminophenyl)cyclopropyl]-2-(1,3-thiazol-5-yl)ethanone
CID 116611743
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
1-[1-(4-aminophenyl)cyclopropyl]decan-1-one
CID 116611630
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116749979

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone (CID 116611651) is 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone is CCc1ccc(CC(=O)C2(c3ccc(N)cc3)CC2)nc1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone?
The InChIKey is XBDNBUQCBWMEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-13-3-8-16(20-12-13)11-17(21)18(9-10-18)14-4-6-15(19)7-5-14/h3-8,12H,2,9-11,19H2,1H3.
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone?
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 116611651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).