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

C33H45NO8 — CID 54065876

IUPAC2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCOc1ccc(C(OCCOCCOCCOCCOCCOCCN)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=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
InChIKeyMCXXSBDIIQFSQI-UHFFFAOYSA-N
MW583.72 g/mol
LogP4.05
Rot. Bonds23

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 Name2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID54065876
Molecular FormulaC33H45NO8
Molecular Weight583.72 g/mol
Exact Mass583.31
IUPAC Name2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCOc1ccc(C(OCCOCCOCCOCCOCCOCCN)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=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
InChIKeyMCXXSBDIIQFSQI-UHFFFAOYSA-N
XLogP4.05
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.72
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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).