[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine

C13H13BrN2O — CID 55058835

IUPAC[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
SMILESCc1ccc(Oc2ncc(Br)cc2CN)cc1
InChIInChI=1S/C13H13BrN2O/c1-9-2-4-12(5-3-9)17-13-10(7-15)6-11(14)8-16-13/h2-6,8H,7,15H2,1H3
InChIKeyOQMUDPMHXNOCRP-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.40
Rot. Bonds3

About [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine

[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine (PubChem CID 55058835) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
PubChem CID55058835
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
SMILESCc1ccc(Oc2ncc(Br)cc2CN)cc1
InChIInChI=1S/C13H13BrN2O/c1-9-2-4-12(5-3-9)17-13-10(7-15)6-11(14)8-16-13/h2-6,8H,7,15H2,1H3
InChIKeyOQMUDPMHXNOCRP-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]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

[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 107668185
[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854885
N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295659
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
CID 62291690
5-bromo-2-(4-bromophenoxy)-3-methylpyridine
CID 79713445
5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine
CID 63446894
1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 83134824
5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 63446322
[5-bromo-2-(2,5-dimethylphenoxy)-3-pyridinyl]methanol
CID 62001329

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine (CID 55058835) is [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine is Cc1ccc(Oc2ncc(Br)cc2CN)cc1.
What is the InChIKey of [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is OQMUDPMHXNOCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-2-4-12(5-3-9)17-13-10(7-15)6-11(14)8-16-13/h2-6,8H,7,15H2,1H3.
What are the key properties of [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine?
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 293.16 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 55058835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).