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

C15H17BrN2O2 — CID 104706382

IUPAC[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
SMILESCOc1ccc(Oc2nc(C)cc(C)c2CN)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-9-6-10(2)18-15(12(9)8-17)20-14-5-4-11(19-3)7-13(14)16/h4-7H,8,17H2,1-3H3
InChIKeyKRJVNMAQRDEORR-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.72
Rot. Bonds4

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

[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine (PubChem CID 104706382) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is [2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
PubChem CID104706382
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
SMILESCOc1ccc(Oc2nc(C)cc(C)c2CN)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-9-6-10(2)18-15(12(9)8-17)20-14-5-4-11(19-3)7-13(14)16/h4-7H,8,17H2,1-3H3
InChIKeyKRJVNMAQRDEORR-UHFFFAOYSA-N
XLogP3.72
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine with MolForge

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Related Compounds

[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 104706374
[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175759
[2-(5-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 114671610
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175556
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine
CID 63446420
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
[5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 104706400
3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
CID 61270107
3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine
CID 79406784
[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515
[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256518

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine (CID 104706382) is [2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine is COc1ccc(Oc2nc(C)cc(C)c2CN)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine?
The InChIKey is KRJVNMAQRDEORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-6-10(2)18-15(12(9)8-17)20-14-5-4-11(19-3)7-13(14)16/h4-7H,8,17H2,1-3H3.
What are the key properties of [2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine?
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine has a molecular weight of 337.22 g/mol, XLogP of 3.72, 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)-4,6-dimethyl-3-pyridinyl]methanamine is sourced from PubChem (CID 104706382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).