1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone

C13H15F2NO — CID 105412047

IUPAC1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone
SMILESNCC1(C(=O)Cc2cc(F)cc(F)c2)CCC1
InChIInChI=1S/C13H15F2NO/c14-10-4-9(5-11(15)7-10)6-12(17)13(8-16)2-1-3-13/h4-5,7H,1-3,6,8,16H2
InChIKeyOUSBUSFIOAJDOE-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.21
Rot. Bonds4

About 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone

1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone (PubChem CID 105412047) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone
PubChem CID105412047
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone
SMILESNCC1(C(=O)Cc2cc(F)cc(F)c2)CCC1
InChIInChI=1S/C13H15F2NO/c14-10-4-9(5-11(15)7-10)6-12(17)13(8-16)2-1-3-13/h4-5,7H,1-3,6,8,16H2
InChIKeyOUSBUSFIOAJDOE-UHFFFAOYSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone
CID 105412230
1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 116601171
1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105412018
1-[1-(aminomethyl)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350494
1-[1-(aminomethyl)cycloheptyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116602151
[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114737162
1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116600888
1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone
CID 116600671
1-[1-(aminomethyl)cycloheptyl]-2-(2,6-difluorophenyl)ethanone
CID 114935488
1-[1-(aminomethyl)cyclobutyl]-2-(2-bromo-3-fluorophenyl)ethanone
CID 116600438
1-[1-(aminomethyl)cyclopentyl]-2-(4-bromo-2-fluorophenyl)ethanone
CID 116601033
2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 105411935

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone (CID 105412047) is 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone is NCC1(C(=O)Cc2cc(F)cc(F)c2)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone?
The InChIKey is OUSBUSFIOAJDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-10-4-9(5-11(15)7-10)6-12(17)13(8-16)2-1-3-13/h4-5,7H,1-3,6,8,16H2.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone?
1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone has a molecular weight of 239.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 105412047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).