[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine

C13H13BrN2O2 — CID 113443515

IUPAC[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
SMILESCOc1ccc(Oc2cccc(CN)n2)c(Br)c1
InChIInChI=1S/C13H13BrN2O2/c1-17-10-5-6-12(11(14)7-10)18-13-4-2-3-9(8-15)16-13/h2-7H,8,15H2,1H3
InChIKeyXXRGGUSJCMVPAK-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.10
Rot. Bonds4

About [6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine

[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine (PubChem CID 113443515) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is [6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
PubChem CID113443515
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
SMILESCOc1ccc(Oc2cccc(CN)n2)c(Br)c1
InChIInChI=1S/C13H13BrN2O2/c1-17-10-5-6-12(11(14)7-10)18-13-4-2-3-9(8-15)16-13/h2-7H,8,15H2,1H3
InChIKeyXXRGGUSJCMVPAK-UHFFFAOYSA-N
XLogP3.10
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(2-bromo-4-methoxyphenoxy)-2-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

[6-(2,4-dibromophenoxy)-2-pyridinyl]methanamine
CID 64719282
[6-(2-tert-butyl-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 62298299
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648
6-(2-bromo-4-methoxyphenoxy)pyridine-2-carbothioamide
CID 104707183
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330
6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine
CID 104708310
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 104706374
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588
2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
CID 104706888
6-(2-bromo-4-methoxyphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 104706569

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine (CID 113443515) is [6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine is COc1ccc(Oc2cccc(CN)n2)c(Br)c1.
What is the InChIKey of [6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine?
The InChIKey is XXRGGUSJCMVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-17-10-5-6-12(11(14)7-10)18-13-4-2-3-9(8-15)16-13/h2-7H,8,15H2,1H3.
What are the key properties of [6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine?
[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine has a molecular weight of 309.16 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 113443515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).