[3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine

C11H15BrN2O — CID 104799662

IUPAC[3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine
SMILESNCC1CC(OCc2cncc(Br)c2)C1
InChIInChI=1S/C11H15BrN2O/c12-10-1-9(5-14-6-10)7-15-11-2-8(3-11)4-13/h1,5-6,8,11H,2-4,7,13H2
InChIKeyDRVHDHJHVZVRBG-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.10
Rot. Bonds4

About [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine

[3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine (PubChem CID 104799662) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine
PubChem CID104799662
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name[3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine
SMILESNCC1CC(OCc2cncc(Br)c2)C1
InChIInChI=1S/C11H15BrN2O/c12-10-1-9(5-14-6-10)7-15-11-2-8(3-11)4-13/h1,5-6,8,11H,2-4,7,13H2
InChIKeyDRVHDHJHVZVRBG-UHFFFAOYSA-N
XLogP2.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine 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

3-bromo-5-(oxetan-3-yloxymethyl)pyridine
CID 102607218
[2-[(5-bromo-3-pyridinyl)methoxy]cyclopentyl]methanamine
CID 104799648
methyl 4-[(5-bromo-3-pyridinyl)methoxy]cyclohexane-1-carboxylate
CID 114450840
3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
CID 104797401
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
N-methyl-1-[3-[(5-methyl-3-pyridinyl)methoxy]cyclobutyl]methanamine
CID 102877286
[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 104798108
1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116587348
3-[(5-bromo-3-pyridinyl)methylsulfanyl]propan-1-amine
CID 104797995
[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
CID 104796055
[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 113454081
3-bromo-5-(3-methylbutan-2-yloxymethyl)pyridine
CID 104809934

Frequently Asked Questions

What is the IUPAC name of [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine?
The IUPAC name of [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine (CID 104799662) is [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine.
What is the SMILES notation for [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine?
The canonical SMILES for [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine is NCC1CC(OCc2cncc(Br)c2)C1.
What is the InChIKey of [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine?
The InChIKey is DRVHDHJHVZVRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-10-1-9(5-14-6-10)7-15-11-2-8(3-11)4-13/h1,5-6,8,11H,2-4,7,13H2.
What are the key properties of [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine?
[3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine has a molecular weight of 271.16 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-bromo-3-pyridinyl)methoxy]cyclobutyl]methanamine is sourced from PubChem (CID 104799662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).