[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine

C16H19BrN2O — CID 107668185

IUPAC[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
SMILESCCC(C)c1ccc(Oc2ncc(Br)cc2CN)cc1
InChIInChI=1S/C16H19BrN2O/c1-3-11(2)12-4-6-15(7-5-12)20-16-13(9-18)8-14(17)10-19-16/h4-8,10-11H,3,9,18H2,1-2H3
InChIKeyTZNRJJZZOLUGRY-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.61
Rot. Bonds5

About [5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine

[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine (PubChem CID 107668185) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is [5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
PubChem CID107668185
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
SMILESCCC(C)c1ccc(Oc2ncc(Br)cc2CN)cc1
InChIInChI=1S/C16H19BrN2O/c1-3-11(2)12-4-6-15(7-5-12)20-16-13(9-18)8-14(17)10-19-16/h4-8,10-11H,3,9,18H2,1-2H3
InChIKeyTZNRJJZZOLUGRY-UHFFFAOYSA-N
XLogP4.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine
CID 107666158
[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
CID 107666701
[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
CID 107663596
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methanamine
CID 66274656
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine
CID 107663612
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295659

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine (CID 107668185) is [5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine is CCC(C)c1ccc(Oc2ncc(Br)cc2CN)cc1.
What is the InChIKey of [5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is TZNRJJZZOLUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-11(2)12-4-6-15(7-5-12)20-16-13(9-18)8-14(17)10-19-16/h4-8,10-11H,3,9,18H2,1-2H3.
What are the key properties of [5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine?
[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 335.25 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 107668185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).