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

C24H24INO2 — CID 126223793

IUPACN-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccccc1
InChIInChI=1S/C24H24INO2/c1-4-27-23-14-20(15-26-22-12-17(2)10-11-18(22)3)13-21(25)24(23)28-16-19-8-6-5-7-9-19/h5-15H,4,16H2,1-3H3/b26-15+
InChIKeyQLKSXXBUZKCEKG-CVKSISIWSA-N
MW485.37 g/mol
LogP6.64
Rot. Bonds7

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

N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine (PubChem CID 126223793) has the molecular formula C24H24INO2 and a molecular weight of 485.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
PubChem CID126223793
Molecular FormulaC24H24INO2
Molecular Weight485.37 g/mol
Exact Mass485.09
IUPAC NameN-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccccc1
InChIInChI=1S/C24H24INO2/c1-4-27-23-14-20(15-26-22-12-17(2)10-11-18(22)3)13-21(25)24(23)28-16-19-8-6-5-7-9-19/h5-15H,4,16H2,1-3H3/b26-15+
InChIKeyQLKSXXBUZKCEKG-CVKSISIWSA-N
XLogP6.64
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 56.64
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

N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126221635
N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126224516
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217711
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126225931
1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
CID 126220598
N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126218403
2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]-N-(3-methylphenyl)acetamide
CID 126209254
1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214078
4-[[4-[(3-chloro-4-methylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid
CID 126214248
2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 126206250
1-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126221367
3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde
CID 1342243

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine (CID 126223793) is N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine is CCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccccc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine?
The InChIKey is QLKSXXBUZKCEKG-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24INO2/c1-4-27-23-14-20(15-26-22-12-17(2)10-11-18(22)3)13-21(25)24(23)28-16-19-8-6-5-7-9-19/h5-15H,4,16H2,1-3H3/b26-15+.
What are the key properties of N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine?
N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine has a molecular weight of 485.37 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 126223793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).