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

C23H21ClINO2 — CID 126221635

IUPACN-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1
InChIInChI=1S/C23H21ClINO2/c1-3-27-22-12-18(14-26-19-10-9-16(2)20(24)13-19)11-21(25)23(22)28-15-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b26-14+
InChIKeyYSORYHKNNVCRTR-VULFUBBASA-N
MW505.78 g/mol
LogP6.98
Rot. Bonds7

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

N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine (PubChem CID 126221635) has the molecular formula C23H21ClINO2 and a molecular weight of 505.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
PubChem CID126221635
Molecular FormulaC23H21ClINO2
Molecular Weight505.78 g/mol
Exact Mass505.03
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1
InChIInChI=1S/C23H21ClINO2/c1-3-27-22-12-18(14-26-19-10-9-16(2)20(24)13-19)11-21(25)23(22)28-15-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b26-14+
InChIKeyYSORYHKNNVCRTR-VULFUBBASA-N
XLogP6.98
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.78
LogP ≤ 56.98
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

4-[[4-[(3-chloro-4-methylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid
CID 126214248
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752
N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126223793
N-(3,4-dimethylphenyl)-1-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126224516
1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126206843
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217786
4-[[2-bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 126220648
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217459
N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126218396
1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216496

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine (CID 126221635) is N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine is CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OCc1ccccc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine?
The InChIKey is YSORYHKNNVCRTR-VULFUBBASA-N. The full InChI is InChI=1S/C23H21ClINO2/c1-3-27-22-12-18(14-26-19-10-9-16(2)20(24)13-19)11-21(25)23(22)28-15-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b26-14+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine?
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine has a molecular weight of 505.78 g/mol, XLogP of 6.98, 7 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-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 126221635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).