[4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine

C14H14Br2N2O2 — CID 81251048

IUPAC[4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCOc1cc(Br)c(Oc2cc(C)ncc2CN)cc1Br
InChIInChI=1S/C14H14Br2N2O2/c1-8-3-12(9(6-17)7-18-8)20-14-5-10(15)13(19-2)4-11(14)16/h3-5,7H,6,17H2,1-2H3
InChIKeyQRAUVNLKTNBWDL-UHFFFAOYSA-N
MW402.09 g/mol
LogP4.17
Rot. Bonds4

About [4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine

[4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine (PubChem CID 81251048) has the molecular formula C14H14Br2N2O2 and a molecular weight of 402.09 g/mol. Its IUPAC name is [4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
PubChem CID81251048
Molecular FormulaC14H14Br2N2O2
Molecular Weight402.09 g/mol
Exact Mass399.94
IUPAC Name[4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCOc1cc(Br)c(Oc2cc(C)ncc2CN)cc1Br
InChIInChI=1S/C14H14Br2N2O2/c1-8-3-12(9(6-17)7-18-8)20-14-5-10(15)13(19-2)4-11(14)16/h3-5,7H,6,17H2,1-2H3
InChIKeyQRAUVNLKTNBWDL-UHFFFAOYSA-N
XLogP4.17
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.09
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 81251189
[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 83235153
[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methanamine
CID 81250797
(4-ethoxy-6-methyl-3-pyridinyl)methanamine
CID 81255491
[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81254597
[6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine
CID 81250178
[6-methyl-4-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250497
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420
(6-methyl-4-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 81251012
[4-(4-chloronaphthalen-1-yl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81255368
[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol
CID 81237020
3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 105368353

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine (CID 81251048) is [4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine is COc1cc(Br)c(Oc2cc(C)ncc2CN)cc1Br.
What is the InChIKey of [4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is QRAUVNLKTNBWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2/c1-8-3-12(9(6-17)7-18-8)20-14-5-10(15)13(19-2)4-11(14)16/h3-5,7H,6,17H2,1-2H3.
What are the key properties of [4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine?
[4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine has a molecular weight of 402.09 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81251048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).