[5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine

C14H15BrN2O — CID 114202920

IUPAC[5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine
SMILESCc1cc(C)cc(Oc2cc(Br)cnc2CN)c1
InChIInChI=1S/C14H15BrN2O/c1-9-3-10(2)5-12(4-9)18-14-6-11(15)8-17-13(14)7-16/h3-6,8H,7,16H2,1-2H3
InChIKeyONHAAMSVOZPKAB-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.71
Rot. Bonds3

About [5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine

[5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine (PubChem CID 114202920) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is [5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine
PubChem CID114202920
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name[5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine
SMILESCc1cc(C)cc(Oc2cc(Br)cnc2CN)c1
InChIInChI=1S/C14H15BrN2O/c1-9-3-10(2)5-12(4-9)18-14-6-11(15)8-17-13(14)7-16/h3-6,8H,7,16H2,1-2H3
InChIKeyONHAAMSVOZPKAB-UHFFFAOYSA-N
XLogP3.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dibromo-2-pyridinyl)methanamine;hydrochloride
CID 133055680
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
5-bromo-2-(bromomethyl)-3-methoxypyridine
CID 130777672
3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol
CID 107680637
5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile
CID 114202973
[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854885
6-(3,5-dimethylphenoxy)-4-methylpyridin-3-amine
CID 79020990
2-(aminomethyl)-5-bromopyridine-3-carboxylic acid
CID 165451398
[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
CID 113320455
1-[4-bromo-2-(3,5-dimethylphenoxy)phenyl]ethanone
CID 82967401
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline
CID 112648518

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine (CID 114202920) is [5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine is Cc1cc(C)cc(Oc2cc(Br)cnc2CN)c1.
What is the InChIKey of [5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine?
The InChIKey is ONHAAMSVOZPKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-3-10(2)5-12(4-9)18-14-6-11(15)8-17-13(14)7-16/h3-6,8H,7,16H2,1-2H3.
What are the key properties of [5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine?
[5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine has a molecular weight of 307.19 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 114202920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).