2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone

C15H18F3NO — CID 102756919

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)CC1(CN)CCC1
InChIInChI=1S/C15H18F3NO/c1-10-7-11(15(16,17)18)3-4-12(10)13(20)8-14(9-19)5-2-6-14/h3-4,7H,2,5-6,8-9,19H2,1H3
InChIKeyZWZCOBXVYAUQSX-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.72
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone

2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 102756919) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
PubChem CID102756919
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)CC1(CN)CCC1
InChIInChI=1S/C15H18F3NO/c1-10-7-11(15(16,17)18)3-4-12(10)13(20)8-14(9-19)5-2-6-14/h3-4,7H,2,5-6,8-9,19H2,1H3
InChIKeyZWZCOBXVYAUQSX-UHFFFAOYSA-N
XLogP3.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
[4-(aminomethyl)oxan-4-yl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756941
4,4,4-trifluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-one
CID 102752652
2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106883115
3-chloro-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 175668332
3-amino-4-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 102756961
2-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethoxyphenyl)ethanone
CID 116599360
2-(1,1-dioxothiolan-3-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102757296
3-(methylamino)-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 102756704
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
CID 146004474
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756836

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone (CID 102756919) is 2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone is Cc1cc(C(F)(F)F)ccc1C(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZWZCOBXVYAUQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-10-7-11(15(16,17)18)3-4-12(10)13(20)8-14(9-19)5-2-6-14/h3-4,7H,2,5-6,8-9,19H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 285.31 g/mol, XLogP of 3.72, 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-methyl-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 102756919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).