[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine

C14H15BrN2O2 — CID 104706374

IUPAC[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCOc1ccc(Oc2nc(C)ccc2CN)c(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-3-4-10(8-16)14(17-9)19-13-6-5-11(18-2)7-12(13)15/h3-7H,8,16H2,1-2H3
InChIKeyBMTGPKNNXRGHGG-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.41
Rot. Bonds4

About [2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine

[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine (PubChem CID 104706374) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is [2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
PubChem CID104706374
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCOc1ccc(Oc2nc(C)ccc2CN)c(Br)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-3-4-10(8-16)14(17-9)19-13-6-5-11(18-2)7-12(13)15/h3-7H,8,16H2,1-2H3
InChIKeyBMTGPKNNXRGHGG-UHFFFAOYSA-N
XLogP3.41
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330
[2-(2-fluoro-5-methylphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 64853407
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene
CID 107089149
2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 104708631
2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
CID 104707668
[5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 104706400

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine (CID 104706374) is [2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine is COc1ccc(Oc2nc(C)ccc2CN)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is BMTGPKNNXRGHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-3-4-10(8-16)14(17-9)19-13-6-5-11(18-2)7-12(13)15/h3-7H,8,16H2,1-2H3.
What are the key properties of [2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine?
[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine has a molecular weight of 323.19 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 104706374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).