N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine

C15H25NO4 — CID 2280426

IUPACN-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
SMILESCCOc1ccccc1OCCOCCNCCOC
InChIInChI=1S/C15H25NO4/c1-3-19-14-6-4-5-7-15(14)20-13-12-18-11-9-16-8-10-17-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyXLKQHNXUAUVORO-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.72
Rot. Bonds12

About N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine

N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine (PubChem CID 2280426) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
PubChem CID2280426
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC NameN-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
SMILESCCOc1ccccc1OCCOCCNCCOC
InChIInChI=1S/C15H25NO4/c1-3-19-14-6-4-5-7-15(14)20-13-12-18-11-9-16-8-10-17-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyXLKQHNXUAUVORO-UHFFFAOYSA-N
XLogP1.72
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 3850725
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine;oxalic acid
CID 2922259
N-[2-[2-(2-bromophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
CID 2869779
2-(2-ethoxyphenoxy)-N-(2-methoxyethoxy)ethanamine
CID 82723021
3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2298387
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
CID 2283298
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine (CID 2280426) is N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine is CCOc1ccccc1OCCOCCNCCOC.
What is the InChIKey of N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine?
The InChIKey is XLKQHNXUAUVORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-19-14-6-4-5-7-15(14)20-13-12-18-11-9-16-8-10-17-2/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine?
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine has a molecular weight of 283.37 g/mol, XLogP of 1.72, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine is sourced from PubChem (CID 2280426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).