2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine

C23H41NO8 — CID 152682360

IUPAC2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
SMILESCOCCOCCOCCOCCOCCOCCOCCOc1ccc(CCN)cc1
InChIInChI=1S/C23H41NO8/c1-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-23-4-2-22(3-5-23)6-7-24/h2-5H,6-21,24H2,1H3
InChIKeyZNUYAJLFIKHAOA-UHFFFAOYSA-N
MW459.58 g/mol
LogP1.31
Rot. Bonds24

About 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine

2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine (PubChem CID 152682360) has the molecular formula C23H41NO8 and a molecular weight of 459.58 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
PubChem CID152682360
Molecular FormulaC23H41NO8
Molecular Weight459.58 g/mol
Exact Mass459.28
IUPAC Name2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
SMILESCOCCOCCOCCOCCOCCOCCOCCOc1ccc(CCN)cc1
InChIInChI=1S/C23H41NO8/c1-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-23-4-2-22(3-5-23)6-7-24/h2-5H,6-21,24H2,1H3
InChIKeyZNUYAJLFIKHAOA-UHFFFAOYSA-N
XLogP1.31
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine (CID 152682360) is 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine is COCCOCCOCCOCCOCCOCCOCCOc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine?
The InChIKey is ZNUYAJLFIKHAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO8/c1-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-23-4-2-22(3-5-23)6-7-24/h2-5H,6-21,24H2,1H3.
What are the key properties of 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine?
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine has a molecular weight of 459.58 g/mol, XLogP of 1.31, 24 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 152682360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).