2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine

C15H17BrN2O2 — CID 79800696

IUPAC2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
SMILESCOc1ccc(COc2ccc(CCN)nc2)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-19-15-5-2-11(8-14(15)16)10-20-13-4-3-12(6-7-17)18-9-13/h2-5,8-9H,6-7,10,17H2,1H3
InChIKeyAWJNJYMYQNVZKR-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.93
Rot. Bonds6

About 2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine

2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine (PubChem CID 79800696) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
PubChem CID79800696
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
SMILESCOc1ccc(COc2ccc(CCN)nc2)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-19-15-5-2-11(8-14(15)16)10-20-13-4-3-12(6-7-17)18-9-13/h2-5,8-9H,6-7,10,17H2,1H3
InChIKeyAWJNJYMYQNVZKR-UHFFFAOYSA-N
XLogP2.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 79799613
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
2-(5-methoxy-2-pyridinyl)ethanamine;hydrochloride
CID 86280253
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
(1R)-1-[4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78933056
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
CID 82716215
2-(bromomethyl)-5-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 79790004
4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
CID 116804533
[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanamine
CID 79775923

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine?
The IUPAC name of 2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine (CID 79800696) is 2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine is COc1ccc(COc2ccc(CCN)nc2)cc1Br.
What is the InChIKey of 2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine?
The InChIKey is AWJNJYMYQNVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-15-5-2-11(8-14(15)16)10-20-13-4-3-12(6-7-17)18-9-13/h2-5,8-9H,6-7,10,17H2,1H3.
What are the key properties of 2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine?
2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine has a molecular weight of 337.22 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine is sourced from PubChem (CID 79800696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).