4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline

C14H14I2N2O2 — CID 141296455

IUPAC4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline
SMILESCOc1cc(-c2cc(OC)c(N)cc2I)c(I)cc1N
InChIInChI=1S/C14H14I2N2O2/c1-19-13-3-7(9(15)5-11(13)17)8-4-14(20-2)12(18)6-10(8)16/h3-6H,17-18H2,1-2H3
InChIKeyORLVWQUOZWONNM-UHFFFAOYSA-N
MW496.09 g/mol
LogP3.74
Rot. Bonds3

About 4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline

4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline (PubChem CID 141296455) has the molecular formula C14H14I2N2O2 and a molecular weight of 496.09 g/mol. Its IUPAC name is 4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline.

Molecular Properties

Compound Name4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline
PubChem CID141296455
Molecular FormulaC14H14I2N2O2
Molecular Weight496.09 g/mol
Exact Mass495.91
IUPAC Name4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline
SMILESCOc1cc(-c2cc(OC)c(N)cc2I)c(I)cc1N
InChIInChI=1S/C14H14I2N2O2/c1-19-13-3-7(9(15)5-11(13)17)8-4-14(20-2)12(18)6-10(8)16/h3-6H,17-18H2,1-2H3
InChIKeyORLVWQUOZWONNM-UHFFFAOYSA-N
XLogP3.74
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.09
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline?
The IUPAC name of 4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline (CID 141296455) is 4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline.
What is the SMILES notation for 4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline?
The canonical SMILES for 4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline is COc1cc(-c2cc(OC)c(N)cc2I)c(I)cc1N.
What is the InChIKey of 4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline?
The InChIKey is ORLVWQUOZWONNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14I2N2O2/c1-19-13-3-7(9(15)5-11(13)17)8-4-14(20-2)12(18)6-10(8)16/h3-6H,17-18H2,1-2H3.
What are the key properties of 4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline?
4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline has a molecular weight of 496.09 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline is sourced from PubChem (CID 141296455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).