2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine

C16H27NO4 — CID 104566562

IUPAC2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
SMILESCOCCOCCOCCOCc1ccccc1CCN
InChIInChI=1S/C16H27NO4/c1-18-8-9-19-10-11-20-12-13-21-14-16-5-3-2-4-15(16)6-7-17/h2-5H,6-14,17H2,1H3
InChIKeySTLFVPOZAJEECA-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.38
Rot. Bonds13

About 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine (PubChem CID 104566562) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
PubChem CID104566562
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
SMILESCOCCOCCOCCOCc1ccccc1CCN
InChIInChI=1S/C16H27NO4/c1-18-8-9-19-10-11-20-12-13-21-14-16-5-3-2-4-15(16)6-7-17/h2-5H,6-14,17H2,1H3
InChIKeySTLFVPOZAJEECA-UHFFFAOYSA-N
XLogP1.38
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.38
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

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103177032
2-[2-(3-methylbut-3-enoxymethyl)phenyl]ethanamine
CID 114470709
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
2-(2-methoxyethoxymethyl)phenol
CID 21397612
2-[2-(2-methylpropoxymethyl)phenyl]ethanamine
CID 115464547
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
CID 103406557
1-[dideuterio(phenyl)methyl]-2-(2-methoxyethoxymethyl)benzene
CID 10777613
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926665
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine (CID 104566562) is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine is COCCOCCOCCOCc1ccccc1CCN.
What is the InChIKey of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine?
The InChIKey is STLFVPOZAJEECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-18-8-9-19-10-11-20-12-13-21-14-16-5-3-2-4-15(16)6-7-17/h2-5H,6-14,17H2,1H3.
What are the key properties of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine?
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine has a molecular weight of 297.40 g/mol, XLogP of 1.38, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine is sourced from PubChem (CID 104566562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).