N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine

C23H22INO2 — CID 126216170

IUPACN-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C23H22INO2/c1-3-17-9-11-20(12-10-17)25-15-19-13-21(24)23(22(14-19)26-2)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3/b25-15+
InChIKeyIUAHEMPLDJNYNX-MFKUBSTISA-N
MW471.34 g/mol
LogP6.19
Rot. Bonds7

About N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine

N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine (PubChem CID 126216170) has the molecular formula C23H22INO2 and a molecular weight of 471.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
PubChem CID126216170
Molecular FormulaC23H22INO2
Molecular Weight471.34 g/mol
Exact Mass471.07
IUPAC NameN-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C23H22INO2/c1-3-17-9-11-20(12-10-17)25-15-19-13-21(24)23(22(14-19)26-2)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3/b25-15+
InChIKeyIUAHEMPLDJNYNX-MFKUBSTISA-N
XLogP6.19
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 56.19
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'}

Analyze N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
1-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126214862
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126215718
1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126215352
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126221635
1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126209227
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553
1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216496
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine (CID 126216170) is N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine is CCc1ccc(/N=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine?
The InChIKey is IUAHEMPLDJNYNX-MFKUBSTISA-N. The full InChI is InChI=1S/C23H22INO2/c1-3-17-9-11-20(12-10-17)25-15-19-13-21(24)23(22(14-19)26-2)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3/b25-15+.
What are the key properties of N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine?
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine has a molecular weight of 471.34 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 126216170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).