1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine

C20H24INO3 — CID 126214958

IUPAC1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine
SMILESCCCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OCC
InChIInChI=1S/C20H24INO3/c1-4-11-25-20-18(21)12-15(13-19(20)24-6-3)14-22-16-7-9-17(10-8-16)23-5-2/h7-10,12-14H,4-6,11H2,1-3H3/b22-14+
InChIKeyBXCLYCMOBCBEQK-HYARGMPZSA-N
MW453.32 g/mol
LogP5.63
Rot. Bonds9

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

1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine (PubChem CID 126214958) has the molecular formula C20H24INO3 and a molecular weight of 453.32 g/mol. Its IUPAC name is 1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine
PubChem CID126214958
Molecular FormulaC20H24INO3
Molecular Weight453.32 g/mol
Exact Mass453.08
IUPAC Name1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine
SMILESCCCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OCC
InChIInChI=1S/C20H24INO3/c1-4-11-25-20-18(21)12-15(13-19(20)24-6-3)14-22-16-7-9-17(10-8-16)23-5-2/h7-10,12-14H,4-6,11H2,1-3H3/b22-14+
InChIKeyBXCLYCMOBCBEQK-HYARGMPZSA-N
XLogP5.63
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.32
LogP ≤ 55.63
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-phenoxyphenyl)methanimine
CID 126223775
1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126219421
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360358
1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 50884560
N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine
CID 126215520
2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide
CID 126209667
1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126208248
N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
CID 126225878
4-butoxy-3-ethoxy-5-iodobenzaldehyde
CID 19617695
1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216496
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine (CID 126214958) is 1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine is CCCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OCC.
What is the InChIKey of 1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
The InChIKey is BXCLYCMOBCBEQK-HYARGMPZSA-N. The full InChI is InChI=1S/C20H24INO3/c1-4-11-25-20-18(21)12-15(13-19(20)24-6-3)14-22-16-7-9-17(10-8-16)23-5-2/h7-10,12-14H,4-6,11H2,1-3H3/b22-14+.
What are the key properties of 1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine?
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine has a molecular weight of 453.32 g/mol, XLogP of 5.63, 9 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-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 126214958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).