2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone

C15H20FNO — CID 106883115

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CC2(CN)CCC2)c(F)c1
InChIInChI=1S/C15H20FNO/c1-10-6-11(2)14(12(16)7-10)13(18)8-15(9-17)4-3-5-15/h6-7H,3-5,8-9,17H2,1-2H3
InChIKeyBDCNCKPYJICDFX-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.14
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone

2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone (PubChem CID 106883115) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
PubChem CID106883115
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CC2(CN)CCC2)c(F)c1
InChIInChI=1S/C15H20FNO/c1-10-6-11(2)14(12(16)7-10)13(18)8-15(9-17)4-3-5-15/h6-7H,3-5,8-9,17H2,1-2H3
InChIKeyBDCNCKPYJICDFX-UHFFFAOYSA-N
XLogP3.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102756919
(1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106882968
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone
CID 106883000
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011
[1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106880858
1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
CID 106883351
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
CID 106883129
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106883102
1-[1-(aminomethyl)cyclohexyl]-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350536

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone (CID 106883115) is 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CC2(CN)CCC2)c(F)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The InChIKey is BDCNCKPYJICDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10-6-11(2)14(12(16)7-10)13(18)8-15(9-17)4-3-5-15/h6-7H,3-5,8-9,17H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone has a molecular weight of 249.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 106883115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).