1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine

C17H18INO3 — CID 126219421

IUPAC1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(OC)cc2)cc(I)c1OC
InChIInChI=1S/C17H18INO3/c1-4-22-16-10-12(9-15(18)17(16)21-3)11-19-13-5-7-14(20-2)8-6-13/h5-11H,4H2,1-3H3/b19-11+
InChIKeySTRZWRYGHJLQAP-YBFXNURJSA-N
MW411.24 g/mol
LogP4.46
Rot. Bonds6

About 1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine

1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine (PubChem CID 126219421) has the molecular formula C17H18INO3 and a molecular weight of 411.24 g/mol. Its IUPAC name is 1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
PubChem CID126219421
Molecular FormulaC17H18INO3
Molecular Weight411.24 g/mol
Exact Mass411.03
IUPAC Name1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(OC)cc2)cc(I)c1OC
InChIInChI=1S/C17H18INO3/c1-4-22-16-10-12(9-15(18)17(16)21-3)11-19-13-5-7-14(20-2)8-6-13/h5-11H,4H2,1-3H3/b19-11+
InChIKeySTRZWRYGHJLQAP-YBFXNURJSA-N
XLogP4.46
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126214958
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752
1-[4-(2,4-dinitrophenoxy)-3-ethoxy-5-iodophenyl]-N-(4-methoxyphenyl)methanimine
CID 126219437
N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine
CID 126215520
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126223775
(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine
CID 168530777
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346
N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126218403
1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126214862
1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126208248
1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126217637
1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 50884560

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine (CID 126219421) is 1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine is CCOc1cc(/C=N/c2ccc(OC)cc2)cc(I)c1OC.
What is the InChIKey of 1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine?
The InChIKey is STRZWRYGHJLQAP-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18INO3/c1-4-22-16-10-12(9-15(18)17(16)21-3)11-19-13-5-7-14(20-2)8-6-13/h5-11H,4H2,1-3H3/b19-11+.
What are the key properties of 1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine?
1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine has a molecular weight of 411.24 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 126219421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).