2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C33H45NO8 — CID 54065876

About 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 54065876) has the molecular formula C33H45NO8 and a molecular weight of 583.72 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
• PubChem CID: 54065876
• Molecular Formula: C33H45NO8
• Molecular Weight: 583.72 g/mol
• Exact Mass: 583.31
• IUPAC Name: 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
• SMILES: COc1ccc(C(OCCOCCOCCOCCOCCOCCN)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C33H45NO8/c1-35-31-12-8-29(9-13-31)33(28-6-4-3-5-7-28,30-10-14-32(36-2)15-11-30)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-34/h3-15H,16-27,34H2,1-2H3
• InChIKey: MCXXSBDIIQFSQI-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 99.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.72
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?

The IUPAC name of 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 54065876) is 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is COc1ccc(C(OCCOCCOCCOCCOCCOCCN)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?

The InChIKey is MCXXSBDIIQFSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45NO8/c1-35-31-12-8-29(9-13-31)33(28-6-4-3-5-7-28,30-10-14-32(36-2)15-11-30)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-34/h3-15H,16-27,34H2,1-2H3.

What are the key properties of 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?

2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 583.72 g/mol, XLogP of 4.05, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 54065876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).