3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine

C13H13BrN2O — CID 65325978

IUPAC3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
SMILESCOc1ccc(Br)c(Cc2cnccc2N)c1
InChIInChI=1S/C13H13BrN2O/c1-17-11-2-3-12(14)9(7-11)6-10-8-16-5-4-13(10)15/h2-5,7-8H,6H2,1H3,(H2,15,16)
InChIKeyPMNKNRNZISXAMV-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.03
Rot. Bonds3

About 3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine

3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine (PubChem CID 65325978) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
PubChem CID65325978
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
SMILESCOc1ccc(Br)c(Cc2cnccc2N)c1
InChIInChI=1S/C13H13BrN2O/c1-17-11-2-3-12(14)9(7-11)6-10-8-16-5-4-13(10)15/h2-5,7-8H,6H2,1H3,(H2,15,16)
InChIKeyPMNKNRNZISXAMV-UHFFFAOYSA-N
XLogP3.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(pyridin-4-ylmethyl)aniline
CID 105467827
3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine
CID 114663317
3-[(3-methoxypyrazin-2-yl)methyl]pyridin-4-amine
CID 104516357
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine
CID 65326391
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
methyl 2-[(4-amino-3-pyridinyl)methyl-[(2,4-dimethoxyphenyl)methyl]amino]acetate
CID 139401063
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878468
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
3-[2-hydrazinyl-2-(4-methoxyphenyl)ethyl]pyridin-4-amine
CID 105191007
2-N-[(2-bromo-5-methoxyphenyl)methyl]-2-N-ethylbenzene-1,2-diamine
CID 65323306

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine (CID 65325978) is 3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine is COc1ccc(Br)c(Cc2cnccc2N)c1.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine?
The InChIKey is PMNKNRNZISXAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-17-11-2-3-12(14)9(7-11)6-10-8-16-5-4-13(10)15/h2-5,7-8H,6H2,1H3,(H2,15,16).
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine?
3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine has a molecular weight of 293.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 65325978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).