1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine

C24H20INO3 — CID 126208248

IUPAC1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
SMILESC#CCOc1c(I)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC
InChIInChI=1S/C24H20INO3/c1-3-14-28-24-22(25)15-18(16-23(24)27-4-2)17-26-19-10-12-21(13-11-19)29-20-8-6-5-7-9-20/h1,5-13,15-17H,4,14H2,2H3/b26-17+
InChIKeyNSAUYGHJBKJSEU-YZSQISJMSA-N
MW497.33 g/mol
LogP6.24
Rot. Bonds8

About 1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine

1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine (PubChem CID 126208248) has the molecular formula C24H20INO3 and a molecular weight of 497.33 g/mol. Its IUPAC name is 1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
PubChem CID126208248
Molecular FormulaC24H20INO3
Molecular Weight497.33 g/mol
Exact Mass497.05
IUPAC Name1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
SMILESC#CCOc1c(I)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC
InChIInChI=1S/C24H20INO3/c1-3-14-28-24-22(25)15-18(16-23(24)27-4-2)17-26-19-10-12-21(13-11-19)29-20-8-6-5-7-9-20/h1,5-13,15-17H,4,14H2,2H3/b26-17+
InChIKeyNSAUYGHJBKJSEU-YZSQISJMSA-N
XLogP6.24
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.33
LogP ≤ 56.24
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126214053
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126223775
N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine
CID 126215520
1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216496
1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126219421
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126214958
1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126219590
2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide
CID 126209667
2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol
CID 137149845
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
N-[(Z)-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148451
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine (CID 126208248) is 1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine is C#CCOc1c(I)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC.
What is the InChIKey of 1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
The InChIKey is NSAUYGHJBKJSEU-YZSQISJMSA-N. The full InChI is InChI=1S/C24H20INO3/c1-3-14-28-24-22(25)15-18(16-23(24)27-4-2)17-26-19-10-12-21(13-11-19)29-20-8-6-5-7-9-20/h1,5-13,15-17H,4,14H2,2H3/b26-17+.
What are the key properties of 1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine has a molecular weight of 497.33 g/mol, XLogP of 6.24, 8 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-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 126208248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).