6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine

C25H24INO — CID 166813401

IUPAC6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
SMILESCc1ccc(N(I)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C25H24INO/c1-17-13-15-19(16-14-17)27(26)23-12-6-11-22-21-10-5-9-20(24(21)28-25(22)23)18-7-3-2-4-8-18/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyCHXBDAXQGBOCJT-UHFFFAOYSA-N
MW481.38 g/mol
LogP8.43
Rot. Bonds3

About 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine

6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine (PubChem CID 166813401) has the molecular formula C25H24INO and a molecular weight of 481.38 g/mol. Its IUPAC name is 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
PubChem CID166813401
Molecular FormulaC25H24INO
Molecular Weight481.38 g/mol
Exact Mass481.09
IUPAC Name6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
SMILESCc1ccc(N(I)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C25H24INO/c1-17-13-15-19(16-14-17)27(26)23-12-6-11-22-21-10-5-9-20(24(21)28-25(22)23)18-7-3-2-4-8-18/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyCHXBDAXQGBOCJT-UHFFFAOYSA-N
XLogP8.43
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine (CID 166813401) is 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine is Cc1ccc(N(I)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.
What is the InChIKey of 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine?
The InChIKey is CHXBDAXQGBOCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24INO/c1-17-13-15-19(16-14-17)27(26)23-12-6-11-22-21-10-5-9-20(24(21)28-25(22)23)18-7-3-2-4-8-18/h5-6,9-16,18H,2-4,7-8H2,1H3.
What are the key properties of 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine?
6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine has a molecular weight of 481.38 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 166813401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).