1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine

C17H17I2NO2 — CID 3361599

IUPAC1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine
SMILESCOc1cccc(/N=C/c2cc(I)cc(I)c2OC(C)C)c1
InChIInChI=1S/C17H17I2NO2/c1-11(2)22-17-12(7-13(18)8-16(17)19)10-20-14-5-4-6-15(9-14)21-3/h4-11H,1-3H3/b20-10+
InChIKeyVRXVNLXYYINWDJ-KEBDBYFISA-N
MW521.14 g/mol
LogP5.44
Rot. Bonds5

About 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine

1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine (PubChem CID 3361599) has the molecular formula C17H17I2NO2 and a molecular weight of 521.14 g/mol. Its IUPAC name is 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine
PubChem CID3361599
Molecular FormulaC17H17I2NO2
Molecular Weight521.14 g/mol
Exact Mass520.93
IUPAC Name1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine
SMILESCOc1cccc(/N=C/c2cc(I)cc(I)c2OC(C)C)c1
InChIInChI=1S/C17H17I2NO2/c1-11(2)22-17-12(7-13(18)8-16(17)19)10-20-14-5-4-6-15(9-14)21-3/h4-11H,1-3H3/b20-10+
InChIKeyVRXVNLXYYINWDJ-KEBDBYFISA-N
XLogP5.44
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.14
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine?
The IUPAC name of 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine (CID 3361599) is 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine?
The canonical SMILES for 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine is COc1cccc(/N=C/c2cc(I)cc(I)c2OC(C)C)c1.
What is the InChIKey of 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine?
The InChIKey is VRXVNLXYYINWDJ-KEBDBYFISA-N. The full InChI is InChI=1S/C17H17I2NO2/c1-11(2)22-17-12(7-13(18)8-16(17)19)10-20-14-5-4-6-15(9-14)21-3/h4-11H,1-3H3/b20-10+.
What are the key properties of 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine?
1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine has a molecular weight of 521.14 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine is sourced from PubChem (CID 3361599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).