1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone

C13H17NO — CID 116598490

IUPAC1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2(N)CCC2)cc1
InChIInChI=1S/C13H17NO/c1-10-3-5-11(6-4-10)9-12(15)13(14)7-2-8-13/h3-6H,2,7-9,14H2,1H3
InChIKeyYTYJATFEBDZXRS-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.99
Rot. Bonds3

About 1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone

1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone (PubChem CID 116598490) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone
PubChem CID116598490
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2(N)CCC2)cc1
InChIInChI=1S/C13H17NO/c1-10-3-5-11(6-4-10)9-12(15)13(14)7-2-8-13/h3-6H,2,7-9,14H2,1H3
InChIKeyYTYJATFEBDZXRS-UHFFFAOYSA-N
XLogP1.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone
CID 116598390
1-(1-aminocyclobutyl)-2-(3-methylphenyl)ethanone
CID 116598493
1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone
CID 116598569
1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
CID 116576667
1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone
CID 79075079
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119314460
methyl 1-[2-(4-methylphenyl)acetyl]cyclopropane-1-carboxylate
CID 147637134
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
1-(1-aminocyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116550422
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116558669
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone
CID 116579429

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone (CID 116598490) is 1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2(N)CCC2)cc1.
What is the InChIKey of 1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone?
The InChIKey is YTYJATFEBDZXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-3-5-11(6-4-10)9-12(15)13(14)7-2-8-13/h3-6H,2,7-9,14H2,1H3.
What are the key properties of 1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone?
1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone has a molecular weight of 203.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 116598490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).