2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine

C16H19BrN2O — CID 107727015

IUPAC2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H19BrN2O/c1-10-7-14(8-11(2)15(10)17)20-16-12(3)6-13(4-5-18)9-19-16/h6-9H,4-5,18H2,1-3H3
InChIKeyYJJPTMHTPOQCAU-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.06
Rot. Bonds4

About 2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine

2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine (PubChem CID 107727015) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
PubChem CID107727015
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H19BrN2O/c1-10-7-14(8-11(2)15(10)17)20-16-12(3)6-13(4-5-18)9-19-16/h6-9H,4-5,18H2,1-3H3
InChIKeyYJJPTMHTPOQCAU-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 104708631
2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
CID 107726956
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639815
2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333
[6-(4-bromo-3,5-dimethylphenoxy)-5-chloro-3-pyridinyl]methanol
CID 107725609
[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 81332068
2-[5-methyl-6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanamine
CID 116804222
[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633368
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639335

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine (CID 107727015) is 2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine is Cc1cc(CCN)cnc1Oc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine?
The InChIKey is YJJPTMHTPOQCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-7-14(8-11(2)15(10)17)20-16-12(3)6-13(4-5-18)9-19-16/h6-9H,4-5,18H2,1-3H3.
What are the key properties of 2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine?
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine has a molecular weight of 335.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 107727015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).