[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine

C12H15F2N — CID 65194577

IUPAC[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2cc(F)ccc2F)CCC1
InChIInChI=1S/C12H15F2N/c13-10-2-3-11(14)9(6-10)7-12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,15H2
InChIKeyJTKRIKQMNFQFIY-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.64
Rot. Bonds3

About [1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine

[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine (PubChem CID 65194577) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is [1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
PubChem CID65194577
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2cc(F)ccc2F)CCC1
InChIInChI=1S/C12H15F2N/c13-10-2-3-11(14)9(6-10)7-12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,15H2
InChIKeyJTKRIKQMNFQFIY-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115245867
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
CID 65394864
[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66023755
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873
2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855011
1,4-difluoro-2-[(1-isocyanocyclobutyl)methyl]benzene
CID 176776872

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine (CID 65194577) is [1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine is NCC1(Cc2cc(F)ccc2F)CCC1.
What is the InChIKey of [1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine?
The InChIKey is JTKRIKQMNFQFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-10-2-3-11(14)9(6-10)7-12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,15H2.
What are the key properties of [1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine?
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine has a molecular weight of 211.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 65194577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).