2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid

C18H22N2O7 — CID 21321292

IUPAC2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid
SMILESCOc1ccccc1OCCNCCOc1ccccn1.O=C(O)C(=O)O
InChIInChI=1S/C16H20N2O3.C2H2O4/c1-19-14-6-2-3-7-15(14)20-12-10-17-11-13-21-16-8-4-5-9-18-16;3-1(4)2(5)6/h2-9,17H,10-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyZDEYFPOVYGAWPH-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.29
Rot. Bonds9

About 2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid

2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid (PubChem CID 21321292) has the molecular formula C18H22N2O7 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid
PubChem CID21321292
Molecular FormulaC18H22N2O7
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid
SMILESCOc1ccccc1OCCNCCOc1ccccn1.O=C(O)C(=O)O
InChIInChI=1S/C16H20N2O3.C2H2O4/c1-19-14-6-2-3-7-15(14)20-12-10-17-11-13-21-16-8-4-5-9-18-16;3-1(4)2(5)6/h2-9,17H,10-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyZDEYFPOVYGAWPH-UHFFFAOYSA-N
XLogP1.29
TPSA127.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine
CID 70605196
N-(2-pyridin-2-yloxyethyl)propan-1-amine
CID 62348524
N-ethyl-3-(2-methoxyphenoxy)-3-pyridin-2-yloxypropan-1-amine;oxalic acid
CID 70605692
2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride
CID 88794415
N-(2-pyridin-2-yloxyethyl)butan-1-amine
CID 119027538
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55024329
methyl 2-iodo-3-[2-(2-methoxyphenoxy)ethylamino]propanoate
CID 103492017
N-ethyl-2-[2-(2-methoxyphenoxy)ethylamino]acetamide
CID 60672629
2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propanamide
CID 106174794
2-butoxypyridine;carbonic acid
CID 159061563
3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 66526320

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid (CID 21321292) is 2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid is COc1ccccc1OCCNCCOc1ccccn1.O=C(O)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid?
The InChIKey is ZDEYFPOVYGAWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.C2H2O4/c1-19-14-6-2-3-7-15(14)20-12-10-17-11-13-21-16-8-4-5-9-18-16;3-1(4)2(5)6/h2-9,17H,10-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid?
2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid has a molecular weight of 378.38 g/mol, XLogP of 1.29, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid is sourced from PubChem (CID 21321292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).