N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine

C25H26INO2 — CID 126224516

IUPACN-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C)cc1
InChIInChI=1S/C25H26INO2/c1-5-28-24-14-21(15-27-22-11-8-18(3)19(4)12-22)13-23(26)25(24)29-16-20-9-6-17(2)7-10-20/h6-15H,5,16H2,1-4H3/b27-15+
InChIKeyHXZBKWFNQVEJCJ-JFLMPSFJSA-N
MW499.39 g/mol
LogP6.94
Rot. Bonds7

About N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine

N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine (PubChem CID 126224516) has the molecular formula C25H26INO2 and a molecular weight of 499.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine
PubChem CID126224516
Molecular FormulaC25H26INO2
Molecular Weight499.39 g/mol
Exact Mass499.10
IUPAC NameN-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C)cc1
InChIInChI=1S/C25H26INO2/c1-5-28-24-14-21(15-27-22-11-8-18(3)19(4)12-22)13-23(26)25(24)29-16-20-9-6-17(2)7-10-20/h6-15H,5,16H2,1-4H3/b27-15+
InChIKeyHXZBKWFNQVEJCJ-JFLMPSFJSA-N
XLogP6.94
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.39
LogP ≤ 56.94
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-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126223793
4-[[4-[(3-chloro-4-methylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid
CID 126214248
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752
1-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214929
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
CID 126220598
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126215352
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217711
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine (CID 126224516) is N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine is CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCc1ccc(C)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine?
The InChIKey is HXZBKWFNQVEJCJ-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H26INO2/c1-5-28-24-14-21(15-27-22-11-8-18(3)19(4)12-22)13-23(26)25(24)29-16-20-9-6-17(2)7-10-20/h6-15H,5,16H2,1-4H3/b27-15+.
What are the key properties of N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine?
N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine has a molecular weight of 499.39 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 126224516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).