6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine

C15H17BrN2O2 — CID 43262128

IUPAC6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine
SMILESCC(C)COc1nc(Oc2cccc(Br)c2)ccc1N
InChIInChI=1S/C15H17BrN2O2/c1-10(2)9-19-15-13(17)6-7-14(18-15)20-12-5-3-4-11(16)8-12/h3-8,10H,9,17H2,1-2H3
InChIKeyQMUSBVQVLNWWOG-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.25
Rot. Bonds5

About 6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine

6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine (PubChem CID 43262128) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine
PubChem CID43262128
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine
SMILESCC(C)COc1nc(Oc2cccc(Br)c2)ccc1N
InChIInChI=1S/C15H17BrN2O2/c1-10(2)9-19-15-13(17)6-7-14(18-15)20-12-5-3-4-11(16)8-12/h3-8,10H,9,17H2,1-2H3
InChIKeyQMUSBVQVLNWWOG-UHFFFAOYSA-N
XLogP4.25
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine?
The IUPAC name of 6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine (CID 43262128) is 6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine.
What is the SMILES notation for 6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine?
The canonical SMILES for 6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine is CC(C)COc1nc(Oc2cccc(Br)c2)ccc1N.
What is the InChIKey of 6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine?
The InChIKey is QMUSBVQVLNWWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(2)9-19-15-13(17)6-7-14(18-15)20-12-5-3-4-11(16)8-12/h3-8,10H,9,17H2,1-2H3.
What are the key properties of 6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine?
6-(3-bromophenoxy)-2-(2-methylpropoxy)pyridin-3-amine has a molecular weight of 337.22 g/mol, XLogP of 4.25, 5 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-methylpropoxy)pyridin-3-amine is sourced from PubChem (CID 43262128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).