1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone

C14H19NO — CID 116598569

IUPAC1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)C2(N)CCC2)c1
InChIInChI=1S/C14H19NO/c1-10-4-5-11(2)12(8-10)9-13(16)14(15)6-3-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3
InChIKeyCCHXWAYAIOKXGU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.30
Rot. Bonds3

About 1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone

1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 116598569) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID116598569
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)C2(N)CCC2)c1
InChIInChI=1S/C14H19NO/c1-10-4-5-11(2)12(8-10)9-13(16)14(15)6-3-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3
InChIKeyCCHXWAYAIOKXGU-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclobutyl)-2-(4-methylphenyl)ethanone
CID 116598490
1-(1-aminocyclobutyl)-2-(3-methylphenyl)ethanone
CID 116598493
1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
CID 116576667
1-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190000
2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570098
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707439
(1-methylcyclohexyl) 2-(2,5-dimethylphenyl)acetate
CID 59562754
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694
(1-aminocyclobutyl)-(2-chloro-5-methylphenyl)methanone
CID 130631204
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292
1-(1-aminocyclohexyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 116550607

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone (CID 116598569) is 1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)C2(N)CCC2)c1.
What is the InChIKey of 1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is CCHXWAYAIOKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-4-5-11(2)12(8-10)9-13(16)14(15)6-3-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3.
What are the key properties of 1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone?
1-(1-aminocyclobutyl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.30, 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-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 116598569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).