2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride

C16H20BrClN2O3 — CID 88794415

IUPAC2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride
SMILESCOc1ccccc1OCCNCCOc1cccc(Br)n1.Cl
InChIInChI=1S/C16H19BrN2O3.ClH/c1-20-13-5-2-3-6-14(13)21-11-9-18-10-12-22-16-8-4-7-15(17)19-16;/h2-8,18H,9-12H2,1H3;1H
InChIKeyRRGYLWLLPOFAGR-UHFFFAOYSA-N
MW403.70 g/mol
LogP3.32
Rot. Bonds9

About 2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride

2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride (PubChem CID 88794415) has the molecular formula C16H20BrClN2O3 and a molecular weight of 403.70 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride
PubChem CID88794415
Molecular FormulaC16H20BrClN2O3
Molecular Weight403.70 g/mol
Exact Mass402.03
IUPAC Name2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride
SMILESCOc1ccccc1OCCNCCOc1cccc(Br)n1.Cl
InChIInChI=1S/C16H19BrN2O3.ClH/c1-20-13-5-2-3-6-14(13)21-11-9-18-10-12-22-16-8-4-7-15(17)19-16;/h2-8,18H,9-12H2,1H3;1H
InChIKeyRRGYLWLLPOFAGR-UHFFFAOYSA-N
XLogP3.32
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine
CID 70605196
2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid
CID 21321292
N-ethyl-2-[(6-methoxy-2-pyridinyl)oxy]ethanamine
CID 63586299
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine
CID 11177547
2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55024329
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
CID 114147540
2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106401757
N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride
CID 18793164

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride (CID 88794415) is 2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride is COc1ccccc1OCCNCCOc1cccc(Br)n1.Cl.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride?
The InChIKey is RRGYLWLLPOFAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3.ClH/c1-20-13-5-2-3-6-14(13)21-11-9-18-10-12-22-16-8-4-7-15(17)19-16;/h2-8,18H,9-12H2,1H3;1H.
What are the key properties of 2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride?
2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride has a molecular weight of 403.70 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride is sourced from PubChem (CID 88794415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).