N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine

C22H19ClINO2 — CID 126221318

IUPACN-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCc1ccccc1
InChIInChI=1S/C22H19ClINO2/c1-15-18(23)9-6-10-20(15)25-13-17-11-19(24)22(21(12-17)26-2)27-14-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3/b25-13+
InChIKeyZYWXSRYYCSFNKT-DHRITJCHSA-N
MW491.76 g/mol
LogP6.59
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine

N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine (PubChem CID 126221318) has the molecular formula C22H19ClINO2 and a molecular weight of 491.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
PubChem CID126221318
Molecular FormulaC22H19ClINO2
Molecular Weight491.76 g/mol
Exact Mass491.01
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCc1ccccc1
InChIInChI=1S/C22H19ClINO2/c1-15-18(23)9-6-10-20(15)25-13-17-11-19(24)22(21(12-17)26-2)27-14-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3/b25-13+
InChIKeyZYWXSRYYCSFNKT-DHRITJCHSA-N
XLogP6.59
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.76
LogP ≤ 56.59
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-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126217602
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126222406
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126225931
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126223175
N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
CID 126225878
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]acetic acid
CID 126208645
N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126216241
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine
CID 126219344
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126224885
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine (CID 126221318) is N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine is COc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCc1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine?
The InChIKey is ZYWXSRYYCSFNKT-DHRITJCHSA-N. The full InChI is InChI=1S/C22H19ClINO2/c1-15-18(23)9-6-10-20(15)25-13-17-11-19(24)22(21(12-17)26-2)27-14-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3/b25-13+.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine?
N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine has a molecular weight of 491.76 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 126221318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).