[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine

C12H15BrFN — CID 65194695

IUPAC[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2cc(Br)ccc2F)CCC1
InChIInChI=1S/C12H15BrFN/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
InChIKeyWEHKZKJJAVETEV-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.26
Rot. Bonds3

About [1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine

[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine (PubChem CID 65194695) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is [1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
PubChem CID65194695
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2cc(Br)ccc2F)CCC1
InChIInChI=1S/C12H15BrFN/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
InChIKeyWEHKZKJJAVETEV-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66023755
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
1-[1-(aminomethyl)cyclohexyl]-3-(5-bromo-2-fluorophenyl)propan-2-one
CID 116614498
[1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65392363
3-[(5-bromo-2-fluorophenyl)methyl]-3-(bromomethyl)oxane
CID 66040862
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63509584
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 115244251
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62725210
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine (CID 65194695) is [1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine is NCC1(Cc2cc(Br)ccc2F)CCC1.
What is the InChIKey of [1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine?
The InChIKey is WEHKZKJJAVETEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/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-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine?
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine has a molecular weight of 272.16 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 65194695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).