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

C24H22Cl3NO2 — CID 126206428

IUPAC1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H22Cl3NO2/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+
InChIKeyGZDWNUKCBWCNHB-XODNFHPESA-N
MW462.80 g/mol
LogP7.99
Rot. Bonds7

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

1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine (PubChem CID 126206428) has the molecular formula C24H22Cl3NO2 and a molecular weight of 462.80 g/mol. Its IUPAC name is 1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
PubChem CID126206428
Molecular FormulaC24H22Cl3NO2
Molecular Weight462.80 g/mol
Exact Mass461.07
IUPAC Name1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H22Cl3NO2/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+
InChIKeyGZDWNUKCBWCNHB-XODNFHPESA-N
XLogP7.99
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.80
LogP ≤ 57.99
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-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217711
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126216101
1-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126221367
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3376367
1-[(Z)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-ethylthiourea
CID 94851414
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine
CID 126207064
N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126223793
3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]prop-2-enoic acid
CID 171146613
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126217219

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine?
The IUPAC name of 1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine (CID 126206428) is 1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine is CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine?
The InChIKey is GZDWNUKCBWCNHB-XODNFHPESA-N. The full InChI is InChI=1S/C24H22Cl3NO2/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-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine?
1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine has a molecular weight of 462.80 g/mol, XLogP of 7.99, 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-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine is sourced from PubChem (CID 126206428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).