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

C24H23Cl2NO2 — CID 126221945

IUPAC1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C24H23Cl2NO2/c1-4-28-23-13-18(14-27-20-10-9-16(2)17(3)11-20)12-22(26)24(23)29-15-19-7-5-6-8-21(19)25/h5-14H,4,15H2,1-3H3/b27-14+
InChIKeyDYDDOXJXBVGMEL-MZJWZYIUSA-N
MW428.36 g/mol
LogP7.34
Rot. Bonds7

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

1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine (PubChem CID 126221945) has the molecular formula C24H23Cl2NO2 and a molecular weight of 428.36 g/mol. Its IUPAC name is 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
PubChem CID126221945
Molecular FormulaC24H23Cl2NO2
Molecular Weight428.36 g/mol
Exact Mass427.11
IUPAC Name1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl
InChIInChI=1S/C24H23Cl2NO2/c1-4-28-23-13-18(14-27-20-10-9-16(2)17(3)11-20)12-22(26)24(23)29-15-19-7-5-6-8-21(19)25/h5-14H,4,15H2,1-3H3/b27-14+
InChIKeyDYDDOXJXBVGMEL-MZJWZYIUSA-N
XLogP7.34
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 57.34
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-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217862
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126217219
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126226443
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
CID 169383336
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217786
1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126206428
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126221635
1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221758

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine?
The IUPAC name of 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine (CID 126221945) is 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine is CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl.
What is the InChIKey of 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine?
The InChIKey is DYDDOXJXBVGMEL-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H23Cl2NO2/c1-4-28-23-13-18(14-27-20-10-9-16(2)17(3)11-20)12-22(26)24(23)29-15-19-7-5-6-8-21(19)25/h5-14H,4,15H2,1-3H3/b27-14+.
What are the key properties of 1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine?
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine has a molecular weight of 428.36 g/mol, XLogP of 7.34, 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-(3,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126221945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).