6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

C15H17BrN2O2 — CID 43262127

IUPAC6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1nc(Oc2cccc(Br)c2)ccc1N
InChIInChI=1S/C15H17BrN2O2/c1-15(2,3)20-14-12(17)7-8-13(18-14)19-11-6-4-5-10(16)9-11/h4-9H,17H2,1-3H3
InChIKeyTZGXYSNXCWOFPL-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.40
Rot. Bonds3

About 6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (PubChem CID 43262127) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
PubChem CID43262127
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1nc(Oc2cccc(Br)c2)ccc1N
InChIInChI=1S/C15H17BrN2O2/c1-15(2,3)20-14-12(17)7-8-13(18-14)19-11-6-4-5-10(16)9-11/h4-9H,17H2,1-3H3
InChIKeyTZGXYSNXCWOFPL-UHFFFAOYSA-N
XLogP4.40
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (CID 43262127) is 6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is CC(C)(C)Oc1nc(Oc2cccc(Br)c2)ccc1N.
What is the InChIKey of 6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The InChIKey is TZGXYSNXCWOFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-15(2,3)20-14-12(17)7-8-13(18-14)19-11-6-4-5-10(16)9-11/h4-9H,17H2,1-3H3.
What are the key properties of 6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine has a molecular weight of 337.22 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 43262127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).