6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine

C13H13BrN2O2 — CID 83140412

IUPAC6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine
SMILESCOc1cccc(Br)c1OCc1cccc(N)n1
InChIInChI=1S/C13H13BrN2O2/c1-17-11-6-3-5-10(14)13(11)18-8-9-4-2-7-12(15)16-9/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyMJGUUUGQRDGTGS-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.01
Rot. Bonds4

About 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine

6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine (PubChem CID 83140412) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine
PubChem CID83140412
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine
SMILESCOc1cccc(Br)c1OCc1cccc(N)n1
InChIInChI=1S/C13H13BrN2O2/c1-17-11-6-3-5-10(14)13(11)18-8-9-4-2-7-12(15)16-9/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyMJGUUUGQRDGTGS-UHFFFAOYSA-N
XLogP3.01
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine (CID 83140412) is 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine is COc1cccc(Br)c1OCc1cccc(N)n1.
What is the InChIKey of 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine?
The InChIKey is MJGUUUGQRDGTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-17-11-6-3-5-10(14)13(11)18-8-9-4-2-7-12(15)16-9/h2-7H,8H2,1H3,(H2,15,16).
What are the key properties of 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine?
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine has a molecular weight of 309.16 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 83140412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).