N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine

C17H17I2N — CID 22483055

IUPACN-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine
SMILESCc1cccc(C)c1/C=N/C(C)c1ccc(I)cc1I
InChIInChI=1S/C17H17I2N/c1-11-5-4-6-12(2)16(11)10-20-13(3)15-8-7-14(18)9-17(15)19/h4-10,13H,1-3H3/b20-10+
InChIKeyLHPSTWBXMZJVDY-KEBDBYFISA-N
MW489.14 g/mol
LogP5.69
Rot. Bonds3

About N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine

N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine (PubChem CID 22483055) has the molecular formula C17H17I2N and a molecular weight of 489.14 g/mol. Its IUPAC name is N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine
PubChem CID22483055
Molecular FormulaC17H17I2N
Molecular Weight489.14 g/mol
Exact Mass488.95
IUPAC NameN-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine
SMILESCc1cccc(C)c1/C=N/C(C)c1ccc(I)cc1I
InChIInChI=1S/C17H17I2N/c1-11-5-4-6-12(2)16(11)10-20-13(3)15-8-7-14(18)9-17(15)19/h4-10,13H,1-3H3/b20-10+
InChIKeyLHPSTWBXMZJVDY-KEBDBYFISA-N
XLogP5.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.14
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine?
The IUPAC name of N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine (CID 22483055) is N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine.
What is the SMILES notation for N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine?
The canonical SMILES for N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine is Cc1cccc(C)c1/C=N/C(C)c1ccc(I)cc1I.
What is the InChIKey of N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine?
The InChIKey is LHPSTWBXMZJVDY-KEBDBYFISA-N. The full InChI is InChI=1S/C17H17I2N/c1-11-5-4-6-12(2)16(11)10-20-13(3)15-8-7-14(18)9-17(15)19/h4-10,13H,1-3H3/b20-10+.
What are the key properties of N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine?
N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine has a molecular weight of 489.14 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine is sourced from PubChem (CID 22483055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).