[2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine

C16H19BrN2O — CID 107725807

IUPAC[2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine
SMILESCCc1cc(CN)cc(Oc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C16H19BrN2O/c1-4-13-7-12(9-18)8-15(19-13)20-14-5-10(2)16(17)11(3)6-14/h5-8H,4,9,18H2,1-3H3
InChIKeyLMWJCYYVVLBAGT-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.27
Rot. Bonds4

About [2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine

[2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine (PubChem CID 107725807) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is [2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine
PubChem CID107725807
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name[2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine
SMILESCCc1cc(CN)cc(Oc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C16H19BrN2O/c1-4-13-7-12(9-18)8-15(19-13)20-14-5-10(2)16(17)11(3)6-14/h5-8H,4,9,18H2,1-3H3
InChIKeyLMWJCYYVVLBAGT-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine with MolForge

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Related Compounds

[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol
CID 107725591
(2,6-diethyl-4-pyridinyl)methanamine
CID 139559204
(2-ethyl-6-quinolin-7-yloxy-4-pyridinyl)methanamine
CID 107314896
1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 107725916
6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 107722526
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
CID 83134094
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
CID 107727278
[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 107727424
[3-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107722883
[2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine
CID 107722443
6-(4-bromo-3,5-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 107727385
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 107727015

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine?
The IUPAC name of [2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine (CID 107725807) is [2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine is CCc1cc(CN)cc(Oc2cc(C)c(Br)c(C)c2)n1.
What is the InChIKey of [2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine?
The InChIKey is LMWJCYYVVLBAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-4-13-7-12(9-18)8-15(19-13)20-14-5-10(2)16(17)11(3)6-14/h5-8H,4,9,18H2,1-3H3.
What are the key properties of [2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine?
[2-(4-bromo-3,5-dimethylphenoxy)-6-ethyl-4-pyridinyl]methanamine has a molecular weight of 335.25 g/mol, XLogP of 4.27, 4 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)-6-ethyl-4-pyridinyl]methanamine is sourced from PubChem (CID 107725807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).