N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine

C12H15BrFN — CID 115765891

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
SMILESCC1(NCc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C12H15BrFN/c1-12(5-2-6-12)15-8-9-3-4-10(13)7-11(9)14/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyIYSUOQCHHDPZTK-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.62
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine

N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine (PubChem CID 115765891) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
PubChem CID115765891
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
SMILESCC1(NCc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C12H15BrFN/c1-12(5-2-6-12)15-8-9-3-4-10(13)7-11(9)14/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyIYSUOQCHHDPZTK-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol
CID 115733345
N-[(4-bromo-2-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424919
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol
CID 62522578
N-[(4-bromo-2-fluorophenyl)methyl]-1-(chloromethyl)cyclohexan-1-amine
CID 65024824
1-(4-bromo-2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528679
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892
N-[(4-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61222285
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
1-[[(4-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117845
N-[(4-bromo-2-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965550
1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine
CID 115765781

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine (CID 115765891) is N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine is CC1(NCc2ccc(Br)cc2F)CCC1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine?
The InChIKey is IYSUOQCHHDPZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-12(5-2-6-12)15-8-9-3-4-10(13)7-11(9)14/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine is sourced from PubChem (CID 115765891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).