N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine

C19H18INO3 — CID 126215520

IUPACN-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine
SMILESC#CCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OC
InChIInChI=1S/C19H18INO3/c1-4-10-24-19-17(20)11-14(12-18(19)22-3)13-21-15-6-8-16(9-7-15)23-5-2/h1,6-9,11-13H,5,10H2,2-3H3/b21-13+
InChIKeyFMYSCEZARMCFJB-FYJGNVAPSA-N
MW435.26 g/mol
LogP4.46
Rot. Bonds7

About N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine

N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine (PubChem CID 126215520) has the molecular formula C19H18INO3 and a molecular weight of 435.26 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine
PubChem CID126215520
Molecular FormulaC19H18INO3
Molecular Weight435.26 g/mol
Exact Mass435.03
IUPAC NameN-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine
SMILESC#CCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OC
InChIInChI=1S/C19H18INO3/c1-4-10-24-19-17(20)11-14(12-18(19)22-3)13-21-15-6-8-16(9-7-15)23-5-2/h1,6-9,11-13H,5,10H2,2-3H3/b21-13+
InChIKeyFMYSCEZARMCFJB-FYJGNVAPSA-N
XLogP4.46
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126208248
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
N-(4-ethoxyphenyl)-N'-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]butanediamide
CID 3313873
1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126217700
1-[4-(2,4-dinitrophenoxy)-3-iodo-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126216955
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346
1-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126214053
N-[(Z)-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92659144
1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126214862
N-[(Z)-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148451
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine?
The IUPAC name of N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine (CID 126215520) is N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine is C#CCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OC.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine?
The InChIKey is FMYSCEZARMCFJB-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H18INO3/c1-4-10-24-19-17(20)11-14(12-18(19)22-3)13-21-15-6-8-16(9-7-15)23-5-2/h1,6-9,11-13H,5,10H2,2-3H3/b21-13+.
What are the key properties of N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine?
N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine has a molecular weight of 435.26 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methanimine is sourced from PubChem (CID 126215520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).