1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine

C23H20Cl3NO2 — CID 126217392

IUPAC1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C23H20Cl3NO2/c1-3-28-22-12-16(13-27-21-10-6-9-18(24)15(21)2)11-20(26)23(22)29-14-17-7-4-5-8-19(17)25/h4-13H,3,14H2,1-2H3/b27-13+
InChIKeyNBQQJSAYNRYUHP-UVHMKAGCSA-N
MW448.78 g/mol
LogP7.68
Rot. Bonds7

About 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine

1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine (PubChem CID 126217392) has the molecular formula C23H20Cl3NO2 and a molecular weight of 448.78 g/mol. Its IUPAC name is 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
PubChem CID126217392
Molecular FormulaC23H20Cl3NO2
Molecular Weight448.78 g/mol
Exact Mass447.06
IUPAC Name1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C23H20Cl3NO2/c1-3-28-22-12-16(13-27-21-10-6-9-18(24)15(21)2)11-20(26)23(22)29-14-17-7-4-5-8-19(17)25/h4-13H,3,14H2,1-2H3/b27-13+
InChIKeyNBQQJSAYNRYUHP-UVHMKAGCSA-N
XLogP7.68
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221758
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126216961
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126226443
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
CID 169383336
N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
CID 126225878
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126217219
N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126217246
1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126206428
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]acetic acid
CID 126208645

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The IUPAC name of 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine (CID 126217392) is 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine.
What is the SMILES notation for 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The canonical SMILES for 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine is CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Cl.
What is the InChIKey of 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine?
The InChIKey is NBQQJSAYNRYUHP-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H20Cl3NO2/c1-3-28-22-12-16(13-27-21-10-6-9-18(24)15(21)2)11-20(26)23(22)29-14-17-7-4-5-8-19(17)25/h4-13H,3,14H2,1-2H3/b27-13+.
What are the key properties of 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine?
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine has a molecular weight of 448.78 g/mol, XLogP of 7.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine is sourced from PubChem (CID 126217392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).