1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine

C23H21ClINO2 — CID 126223175

IUPAC1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1cccc(Cl)c1
InChIInChI=1S/C23H21ClINO2/c1-15-7-8-21(16(2)9-15)26-13-18-11-20(25)23(22(12-18)27-3)28-14-17-5-4-6-19(24)10-17/h4-13H,14H2,1-3H3/b26-13+
InChIKeyQFMJLMHLWOMDPZ-LGJNPRDNSA-N
MW505.78 g/mol
LogP6.90
Rot. Bonds6

About 1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine

1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine (PubChem CID 126223175) has the molecular formula C23H21ClINO2 and a molecular weight of 505.78 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine
PubChem CID126223175
Molecular FormulaC23H21ClINO2
Molecular Weight505.78 g/mol
Exact Mass505.03
IUPAC Name1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1cccc(Cl)c1
InChIInChI=1S/C23H21ClINO2/c1-15-7-8-21(16(2)9-15)26-13-18-11-20(25)23(22(12-18)27-3)28-14-17-5-4-6-19(24)10-17/h4-13H,14H2,1-3H3/b26-13+
InChIKeyQFMJLMHLWOMDPZ-LGJNPRDNSA-N
XLogP6.90
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.78
LogP ≤ 56.90
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

1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126225931
N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126216241
N-(2,4-dimethylphenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126219375
4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126221318
N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126218403
1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
CID 126220598
N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126219624
4-[[2-chloro-4-[(2,4-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126209766
N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126217602
2-[4-[(2,4-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
CID 126219265
2-[(3-chlorophenyl)methoxy]-1,3-dimethoxy-5-methylbenzene
CID 59303411

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine?
The IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine (CID 126223175) is 1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine is COc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCc1cccc(Cl)c1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine?
The InChIKey is QFMJLMHLWOMDPZ-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H21ClINO2/c1-15-7-8-21(16(2)9-15)26-13-18-11-20(25)23(22(12-18)27-3)28-14-17-5-4-6-19(24)10-17/h4-13H,14H2,1-3H3/b26-13+.
What are the key properties of 1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine?
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine has a molecular weight of 505.78 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126223175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).