2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine

C14H14BrClN2O — CID 80639815

IUPAC2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C14H14BrClN2O/c1-9-6-10(4-5-17)8-18-14(9)19-13-7-11(15)2-3-12(13)16/h2-3,6-8H,4-5,17H2,1H3
InChIKeyYERYWNUAACPDOR-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.10
Rot. Bonds4

About 2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine

2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine (PubChem CID 80639815) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
PubChem CID80639815
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C14H14BrClN2O/c1-9-6-10(4-5-17)8-18-14(9)19-13-7-11(15)2-3-12(13)16/h2-3,6-8H,4-5,17H2,1H3
InChIKeyYERYWNUAACPDOR-UHFFFAOYSA-N
XLogP4.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine (CID 80639815) is 2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine is Cc1cc(CCN)cnc1Oc1cc(Br)ccc1Cl.
What is the InChIKey of 2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine?
The InChIKey is YERYWNUAACPDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-9-6-10(4-5-17)8-18-14(9)19-13-7-11(15)2-3-12(13)16/h2-3,6-8H,4-5,17H2,1H3.
What are the key properties of 2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine?
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine has a molecular weight of 341.64 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 80639815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).