2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine

C15H17BrN2O2 — CID 104708550

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOc1ccc(OCCNCc2ccccn2)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-19-13-5-6-15(14(16)10-13)20-9-8-17-11-12-4-2-3-7-18-12/h2-7,10,17H,8-9,11H2,1H3
InChIKeyNAJOSMFUZQRALF-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.02
Rot. Bonds7

About 2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine

2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 104708550) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID104708550
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOc1ccc(OCCNCc2ccccn2)c(Br)c1
InChIInChI=1S/C15H17BrN2O2/c1-19-13-5-6-15(14(16)10-13)20-9-8-17-11-12-4-2-3-7-18-12/h2-7,10,17H,8-9,11H2,1H3
InChIKeyNAJOSMFUZQRALF-UHFFFAOYSA-N
XLogP3.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 62598888
2-(5-bromo-2-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 107286479
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 104708522
1-(3-bromo-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29223796
2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39358243
2-(2-bromo-4-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 104708530
N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline
CID 104708538
2-(4-chloro-3,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39396825
N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 60684901
N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline
CID 62584977
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine (CID 104708550) is 2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine is COc1ccc(OCCNCc2ccccn2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is NAJOSMFUZQRALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-13-5-6-15(14(16)10-13)20-9-8-17-11-12-4-2-3-7-18-12/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine?
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 337.22 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 104708550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).