N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine

C17H17ClINO2 — CID 126214752

IUPACN-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OC
InChIInChI=1S/C17H17ClINO2/c1-4-22-16-8-12(7-15(19)17(16)21-3)10-20-13-6-5-11(2)14(18)9-13/h5-10H,4H2,1-3H3/b20-10+
InChIKeyGQSIIBYSAIVYSN-KEBDBYFISA-N
MW429.69 g/mol
LogP5.41
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine

N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine (PubChem CID 126214752) has the molecular formula C17H17ClINO2 and a molecular weight of 429.69 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
PubChem CID126214752
Molecular FormulaC17H17ClINO2
Molecular Weight429.69 g/mol
Exact Mass429.00
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OC
InChIInChI=1S/C17H17ClINO2/c1-4-22-16-8-12(7-15(19)17(16)21-3)10-20-13-6-5-11(2)14(18)9-13/h5-10H,4H2,1-3H3/b20-10+
InChIKeyGQSIIBYSAIVYSN-KEBDBYFISA-N
XLogP5.41
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.69
LogP ≤ 55.41
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
1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126219421
4-[[4-[(3-chloro-4-methylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid
CID 126214248
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
CID 137149832
N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine
CID 126216572
N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126218403
N-(3-chloro-4-methylphenyl)-N'-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]butanediamide
CID 4215049
1-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 126205504
N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126224516
2-[2-bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-6-ethoxyphenoxy]acetic acid
CID 126222878
1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126206843
(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine
CID 168530777

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine (CID 126214752) is N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine is CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OC.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine?
The InChIKey is GQSIIBYSAIVYSN-KEBDBYFISA-N. The full InChI is InChI=1S/C17H17ClINO2/c1-4-22-16-8-12(7-15(19)17(16)21-3)10-20-13-6-5-11(2)14(18)9-13/h5-10H,4H2,1-3H3/b20-10+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine?
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine has a molecular weight of 429.69 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine is sourced from PubChem (CID 126214752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).