2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine

C17H22N2O4 — CID 70605196

IUPAC2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine
SMILESCOc1cccc(OCCNCCOc2ccccc2OC)n1
InChIInChI=1S/C17H22N2O4/c1-20-14-6-3-4-7-15(14)22-12-10-18-11-13-23-17-9-5-8-16(19-17)21-2/h3-9,18H,10-13H2,1-2H3
InChIKeyMBYLGBRRYDKACR-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.15
Rot. Bonds10

About 2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine

2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine (PubChem CID 70605196) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine
PubChem CID70605196
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine
SMILESCOc1cccc(OCCNCCOc2ccccc2OC)n1
InChIInChI=1S/C17H22N2O4/c1-20-14-6-3-4-7-15(14)22-12-10-18-11-13-23-17-9-5-8-16(19-17)21-2/h3-9,18H,10-13H2,1-2H3
InChIKeyMBYLGBRRYDKACR-UHFFFAOYSA-N
XLogP2.15
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-bromo-2-pyridinyl)oxy]-N-[2-(2-methoxyphenoxy)ethyl]ethanamine;hydrochloride
CID 88794415
N-ethyl-2-[(6-methoxy-2-pyridinyl)oxy]ethanamine
CID 63586299
2-(2-methoxyphenoxy)-N-(2-pyridin-2-yloxyethyl)ethanamine;oxalic acid
CID 21321292
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55024329
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
2-[(6-methoxy-2-pyridinyl)oxy]ethanol
CID 139263973
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
CID 57196084
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759
2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106401757
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
CID 114147540

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine (CID 70605196) is 2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine is COc1cccc(OCCNCCOc2ccccc2OC)n1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine?
The InChIKey is MBYLGBRRYDKACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-20-14-6-3-4-7-15(14)22-12-10-18-11-13-23-17-9-5-8-16(19-17)21-2/h3-9,18H,10-13H2,1-2H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine?
2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine has a molecular weight of 318.37 g/mol, XLogP of 2.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine is sourced from PubChem (CID 70605196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).