1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine

C16H19IN2 — CID 66094558

IUPAC1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine
SMILESCC(C)(C)c1ccc(Nc2ccc(N)cc2I)cc1
InChIInChI=1S/C16H19IN2/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(18)10-14(15)17/h4-10,19H,18H2,1-3H3
InChIKeyCPXJQURLLVOYOM-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.91
Rot. Bonds2

About 1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine

1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine (PubChem CID 66094558) has the molecular formula C16H19IN2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine
PubChem CID66094558
Molecular FormulaC16H19IN2
Molecular Weight366.25 g/mol
Exact Mass366.06
IUPAC Name1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine
SMILESCC(C)(C)c1ccc(Nc2ccc(N)cc2I)cc1
InChIInChI=1S/C16H19IN2/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(18)10-14(15)17/h4-10,19H,18H2,1-3H3
InChIKeyCPXJQURLLVOYOM-UHFFFAOYSA-N
XLogP4.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine?
The IUPAC name of 1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine (CID 66094558) is 1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine is CC(C)(C)c1ccc(Nc2ccc(N)cc2I)cc1.
What is the InChIKey of 1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine?
The InChIKey is CPXJQURLLVOYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(18)10-14(15)17/h4-10,19H,18H2,1-3H3.
What are the key properties of 1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine?
1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine has a molecular weight of 366.25 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine is sourced from PubChem (CID 66094558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).