6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine

C16H19BrN2O2 — CID 86601896

IUPAC6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine
SMILESCCOC(C)(C)c1ccccc1Oc1nc(Br)ccc1N
InChIInChI=1S/C16H19BrN2O2/c1-4-20-16(2,3)11-7-5-6-8-13(11)21-15-12(18)9-10-14(17)19-15/h5-10H,4,18H2,1-3H3
InChIKeyYCDPTJXJBCTMLU-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.49
Rot. Bonds5

About 6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine

6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine (PubChem CID 86601896) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine
PubChem CID86601896
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine
SMILESCCOC(C)(C)c1ccccc1Oc1nc(Br)ccc1N
InChIInChI=1S/C16H19BrN2O2/c1-4-20-16(2,3)11-7-5-6-8-13(11)21-15-12(18)9-10-14(17)19-15/h5-10H,4,18H2,1-3H3
InChIKeyYCDPTJXJBCTMLU-UHFFFAOYSA-N
XLogP4.49
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine?
The IUPAC name of 6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine (CID 86601896) is 6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine is CCOC(C)(C)c1ccccc1Oc1nc(Br)ccc1N.
What is the InChIKey of 6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine?
The InChIKey is YCDPTJXJBCTMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-20-16(2,3)11-7-5-6-8-13(11)21-15-12(18)9-10-14(17)19-15/h5-10H,4,18H2,1-3H3.
What are the key properties of 6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine?
6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine has a molecular weight of 351.24 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 86601896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).