4-decoxy-N-(4-decoxyphenyl)aniline

C32H51NO2 — CID 19796048

IUPAC4-decoxy-N-(4-decoxyphenyl)aniline
SMILESCCCCCCCCCCOc1ccc(Nc2ccc(OCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C32H51NO2/c1-3-5-7-9-11-13-15-17-27-34-31-23-19-29(20-24-31)33-30-21-25-32(26-22-30)35-28-18-16-14-12-10-8-6-4-2/h19-26,33H,3-18,27-28H2,1-2H3
InChIKeyMPFLEUJMILMPDO-UHFFFAOYSA-N
MW481.77 g/mol
LogP10.47
Rot. Bonds22

About 4-decoxy-N-(4-decoxyphenyl)aniline

4-decoxy-N-(4-decoxyphenyl)aniline (PubChem CID 19796048) has the molecular formula C32H51NO2 and a molecular weight of 481.77 g/mol. Its IUPAC name is 4-decoxy-N-(4-decoxyphenyl)aniline.

Molecular Properties

Compound Name4-decoxy-N-(4-decoxyphenyl)aniline
PubChem CID19796048
Molecular FormulaC32H51NO2
Molecular Weight481.77 g/mol
Exact Mass481.39
IUPAC Name4-decoxy-N-(4-decoxyphenyl)aniline
SMILESCCCCCCCCCCOc1ccc(Nc2ccc(OCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C32H51NO2/c1-3-5-7-9-11-13-15-17-27-34-31-23-19-29(20-24-31)33-30-21-25-32(26-22-30)35-28-18-16-14-12-10-8-6-4-2/h19-26,33H,3-18,27-28H2,1-2H3
InChIKeyMPFLEUJMILMPDO-UHFFFAOYSA-N
XLogP10.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.77
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
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CID 91712423
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Frequently Asked Questions

What is the IUPAC name of 4-decoxy-N-(4-decoxyphenyl)aniline?
The IUPAC name of 4-decoxy-N-(4-decoxyphenyl)aniline (CID 19796048) is 4-decoxy-N-(4-decoxyphenyl)aniline.
What is the SMILES notation for 4-decoxy-N-(4-decoxyphenyl)aniline?
The canonical SMILES for 4-decoxy-N-(4-decoxyphenyl)aniline is CCCCCCCCCCOc1ccc(Nc2ccc(OCCCCCCCCCC)cc2)cc1.
What is the InChIKey of 4-decoxy-N-(4-decoxyphenyl)aniline?
The InChIKey is MPFLEUJMILMPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51NO2/c1-3-5-7-9-11-13-15-17-27-34-31-23-19-29(20-24-31)33-30-21-25-32(26-22-30)35-28-18-16-14-12-10-8-6-4-2/h19-26,33H,3-18,27-28H2,1-2H3.
What are the key properties of 4-decoxy-N-(4-decoxyphenyl)aniline?
4-decoxy-N-(4-decoxyphenyl)aniline has a molecular weight of 481.77 g/mol, XLogP of 10.47, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxy-N-(4-decoxyphenyl)aniline is sourced from PubChem (CID 19796048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).