2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone

C13H16ClNO — CID 107561340

IUPAC2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2(N)CCC2)cc1Cl
InChIInChI=1S/C13H16ClNO/c1-9-3-4-10(7-11(9)14)12(16)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyDEAXHODYLKCIEW-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.10
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone

2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone (PubChem CID 107561340) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
PubChem CID107561340
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2(N)CCC2)cc1Cl
InChIInChI=1S/C13H16ClNO/c1-9-3-4-10(7-11(9)14)12(16)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyDEAXHODYLKCIEW-UHFFFAOYSA-N
XLogP3.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone
CID 116578896
2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
CID 116578986
2-(1-aminocyclopentyl)-1-(4-ethylphenyl)ethanone
CID 116578853
[2-(3-chloro-4-methylphenyl)-2-oxoethyl] acetate
CID 146005834
2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone
CID 116591184
4-bromo-1-(3-chloro-4-methylphenyl)butan-1-one
CID 146005835
1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone
CID 107561237
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
7-amino-1-(3-chloro-4-methylphenyl)heptan-1-one
CID 107561224

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone (CID 107561340) is 2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone is Cc1ccc(C(=O)CC2(N)CCC2)cc1Cl.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone?
The InChIKey is DEAXHODYLKCIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9-3-4-10(7-11(9)14)12(16)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone?
2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone has a molecular weight of 237.73 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone is sourced from PubChem (CID 107561340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).