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

C13H13BrN2O — CID 43528676

IUPAC[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
SMILESCc1ccc(Oc2ncccc2CN)c(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-9-4-5-12(11(14)7-9)17-13-10(8-15)3-2-6-16-13/h2-7H,8,15H2,1H3
InChIKeyYNURWAMBRIZOJV-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.40
Rot. Bonds3

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

[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine (PubChem CID 43528676) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
PubChem CID43528676
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
SMILESCc1ccc(Oc2ncccc2CN)c(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-9-4-5-12(11(14)7-9)17-13-10(8-15)3-2-6-16-13/h2-7H,8,15H2,1H3
InChIKeyYNURWAMBRIZOJV-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 [2-(2-bromo-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

[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methanamine
CID 43528666
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854594
(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056639
[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
CID 55125081
[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532667
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212
[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828202
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine (CID 43528676) is [2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine is Cc1ccc(Oc2ncccc2CN)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is YNURWAMBRIZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-4-5-12(11(14)7-9)17-13-10(8-15)3-2-6-16-13/h2-7H,8,15H2,1H3.
What are the key properties of [2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine?
[2-(2-bromo-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 [2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 43528676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).