1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine

C16H16INO2 — CID 102419767

IUPAC1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
SMILESCOc1cc(I)c(/C=N/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C16H16INO2/c1-11-4-6-13(7-5-11)18-10-12-8-15(19-2)16(20-3)9-14(12)17/h4-10H,1-3H3/b18-10+
InChIKeyWYUDBZZOXWOAQA-VCHYOVAHSA-N
MW381.21 g/mol
LogP4.37
Rot. Bonds4

About 1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine

1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine (PubChem CID 102419767) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
PubChem CID102419767
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
SMILESCOc1cc(I)c(/C=N/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C16H16INO2/c1-11-4-6-13(7-5-11)18-10-12-8-15(19-2)16(20-3)9-14(12)17/h4-10H,1-3H3/b18-10+
InChIKeyWYUDBZZOXWOAQA-VCHYOVAHSA-N
XLogP4.37
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 54.37
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-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 19582469
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 964993
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine
CID 1272173
4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
CID 3414958
5-bromo-2-methoxy-4-[(4-methoxyphenyl)iminomethyl]phenol
CID 137062216
1-(2-methoxy-4-piperidin-1-ylphenyl)-N-(4-methylphenyl)methanimine
CID 126234630
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 71343645

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine (CID 102419767) is 1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine is COc1cc(I)c(/C=N/c2ccc(C)cc2)cc1OC.
What is the InChIKey of 1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine?
The InChIKey is WYUDBZZOXWOAQA-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16INO2/c1-11-4-6-13(7-5-11)18-10-12-8-15(19-2)16(20-3)9-14(12)17/h4-10H,1-3H3/b18-10+.
What are the key properties of 1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine?
1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine has a molecular weight of 381.21 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 102419767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).