1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine

C24H22Cl2INO2 — CID 126217711

IUPAC1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H22Cl2INO2/c1-4-29-23-11-17(13-28-22-9-15(2)5-6-16(22)3)10-21(27)24(23)30-14-18-7-8-19(25)12-20(18)26/h5-13H,4,14H2,1-3H3/b28-13+
InChIKeyNWSFSFKODQQHMC-XODNFHPESA-N
MW554.26 g/mol
LogP7.94
Rot. Bonds7

About 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine

1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine (PubChem CID 126217711) has the molecular formula C24H22Cl2INO2 and a molecular weight of 554.26 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
PubChem CID126217711
Molecular FormulaC24H22Cl2INO2
Molecular Weight554.26 g/mol
Exact Mass553.01
IUPAC Name1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H22Cl2INO2/c1-4-29-23-11-17(13-28-22-9-15(2)5-6-16(22)3)10-21(27)24(23)30-14-18-7-8-19(25)12-20(18)26/h5-13H,4,14H2,1-3H3/b28-13+
InChIKeyNWSFSFKODQQHMC-XODNFHPESA-N
XLogP7.94
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.26
LogP ≤ 57.94
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-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126206428
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126216101
N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3376367
N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126223793
1-[4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126225931
N-(3-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126217602
1-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126221367
1-(3,4-diethoxy-5-iodophenyl)-N-(2,4-dimethylphenyl)methanimine
CID 126220598
4-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23967905
N-(5-chloro-2-methylphenyl)-1-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126219624
N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126218403
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine?
The IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine (CID 126217711) is 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine?
The canonical SMILES for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine is CCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine?
The InChIKey is NWSFSFKODQQHMC-XODNFHPESA-N. The full InChI is InChI=1S/C24H22Cl2INO2/c1-4-29-23-11-17(13-28-22-9-15(2)5-6-16(22)3)10-21(27)24(23)30-14-18-7-8-19(25)12-20(18)26/h5-13H,4,14H2,1-3H3/b28-13+.
What are the key properties of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine?
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine has a molecular weight of 554.26 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine is sourced from PubChem (CID 126217711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).