[2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine

C15H17BrN2O — CID 107722443

IUPAC[2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine
SMILESCc1cc(Oc2nccc(C)c2CN)cc(C)c1Br
InChIInChI=1S/C15H17BrN2O/c1-9-4-5-18-15(13(9)8-17)19-12-6-10(2)14(16)11(3)7-12/h4-7H,8,17H2,1-3H3
InChIKeyNYJVHYFGHAJZEI-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.02
Rot. Bonds3

About [2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine

[2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine (PubChem CID 107722443) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is [2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine
PubChem CID107722443
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name[2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine
SMILESCc1cc(Oc2nccc(C)c2CN)cc(C)c1Br
InChIInChI=1S/C15H17BrN2O/c1-9-4-5-18-15(13(9)8-17)19-12-6-10(2)14(16)11(3)7-12/h4-7H,8,17H2,1-3H3
InChIKeyNYJVHYFGHAJZEI-UHFFFAOYSA-N
XLogP4.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
(2-methoxy-4-methyl-3-pyridinyl)methanamine
CID 78992169
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine
CID 107724263
6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 107727376
[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 106878446
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 107727015
4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
CID 107723178
(4-methyl-2-pentan-2-yloxy-3-pyridinyl)methanamine
CID 102980142
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 107725632
3-bromo-4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 106877981

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine (CID 107722443) is [2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine is Cc1cc(Oc2nccc(C)c2CN)cc(C)c1Br.
What is the InChIKey of [2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine?
The InChIKey is NYJVHYFGHAJZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-9-4-5-18-15(13(9)8-17)19-12-6-10(2)14(16)11(3)7-12/h4-7H,8,17H2,1-3H3.
What are the key properties of [2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine?
[2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine has a molecular weight of 321.22 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 107722443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).