N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine

C18H20INO2 — CID 126218403

IUPACN-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OC
InChIInChI=1S/C18H20INO2/c1-5-22-17-10-14(9-15(19)18(17)21-4)11-20-16-7-6-12(2)8-13(16)3/h6-11H,5H2,1-4H3/b20-11+
InChIKeyNVRNWEGFWDTSHS-RGVLZGJSSA-N
MW409.27 g/mol
LogP5.07
Rot. Bonds5

About N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine

N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine (PubChem CID 126218403) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
PubChem CID126218403
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC NameN-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OC
InChIInChI=1S/C18H20INO2/c1-5-22-17-10-14(9-15(19)18(17)21-4)11-20-16-7-6-12(2)8-13(16)3/h6-11H,5H2,1-4H3/b20-11+
InChIKeyNVRNWEGFWDTSHS-RGVLZGJSSA-N
XLogP5.07
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
CID 126220598
[4-[(2,4-dimethylphenyl)iminomethyl]-2-ethoxy-6-iodophenyl] 4-methylbenzenesulfonate
CID 126215958
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752
1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126219421
N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126223793
N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126219375
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126223175
(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine
CID 168530777
2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
CID 126219265
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217711
N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
CID 126225878
2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 126206250

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine (CID 126218403) is N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine is CCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OC.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine?
The InChIKey is NVRNWEGFWDTSHS-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H20INO2/c1-5-22-17-10-14(9-15(19)18(17)21-4)11-20-16-7-6-12(2)8-13(16)3/h6-11H,5H2,1-4H3/b20-11+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine?
N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine has a molecular weight of 409.27 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine is sourced from PubChem (CID 126218403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).