4-octyl-N-(4-octylphenyl)aniline

C28H43N — CID 7569

IUPAC4-octyl-N-(4-octylphenyl)aniline
SMILESCCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1
InChIInChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3
InChIKeyQAPVYZRWKDXNDK-UHFFFAOYSA-N
MW393.66 g/mol
LogP9.24
Rot. Bonds16

About 4-octyl-N-(4-octylphenyl)aniline

4-octyl-N-(4-octylphenyl)aniline (PubChem CID 7569) has the molecular formula C28H43N and a molecular weight of 393.66 g/mol. Its IUPAC name is 4-octyl-N-(4-octylphenyl)aniline.

Molecular Properties

Compound Name4-octyl-N-(4-octylphenyl)aniline
PubChem CID7569
Molecular FormulaC28H43N
Molecular Weight393.66 g/mol
Exact Mass393.34
IUPAC Name4-octyl-N-(4-octylphenyl)aniline
SMILESCCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1
InChIInChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3
InChIKeyQAPVYZRWKDXNDK-UHFFFAOYSA-N
XLogP9.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-octyl-N-(4-octylphenyl)aniline?
The IUPAC name of 4-octyl-N-(4-octylphenyl)aniline (CID 7569) is 4-octyl-N-(4-octylphenyl)aniline.
What is the SMILES notation for 4-octyl-N-(4-octylphenyl)aniline?
The canonical SMILES for 4-octyl-N-(4-octylphenyl)aniline is CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1.
What is the InChIKey of 4-octyl-N-(4-octylphenyl)aniline?
The InChIKey is QAPVYZRWKDXNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3.
What are the key properties of 4-octyl-N-(4-octylphenyl)aniline?
4-octyl-N-(4-octylphenyl)aniline has a molecular weight of 393.66 g/mol, XLogP of 9.24, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-N-(4-octylphenyl)aniline is sourced from PubChem (CID 7569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).