1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine

C23H21Cl2NO2 — CID 126207064

IUPAC1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21Cl2NO2/c1-3-27-23-12-17(14-26-20-9-4-16(2)5-10-20)6-11-22(23)28-15-18-7-8-19(24)13-21(18)25/h4-14H,3,15H2,1-2H3/b26-14+
InChIKeyJNDZMOLILQGBNS-VULFUBBASA-N
MW414.33 g/mol
LogP7.03
Rot. Bonds7

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

1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine (PubChem CID 126207064) has the molecular formula C23H21Cl2NO2 and a molecular weight of 414.33 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine
PubChem CID126207064
Molecular FormulaC23H21Cl2NO2
Molecular Weight414.33 g/mol
Exact Mass413.09
IUPAC Name1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H21Cl2NO2/c1-3-27-23-12-17(14-26-20-9-4-16(2)5-10-20)6-11-22(23)28-15-18-7-8-19(24)13-21(18)25/h4-14H,3,15H2,1-2H3/b26-14+
InChIKeyJNDZMOLILQGBNS-VULFUBBASA-N
XLogP7.03
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.33
LogP ≤ 57.03
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-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126216101
(NZ)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 5443374
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 6872725
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine
CID 168592322
1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220882
1-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethylthiourea
CID 6155741
(2R)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126154854
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]methanimine
CID 20998579
1-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126206428
ethyl 2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-1-benzothiophene-3-carboxylate
CID 23774675
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine (CID 126207064) is 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine is CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine?
The InChIKey is JNDZMOLILQGBNS-VULFUBBASA-N. The full InChI is InChI=1S/C23H21Cl2NO2/c1-3-27-23-12-17(14-26-20-9-4-16(2)5-10-20)6-11-22(23)28-15-18-7-8-19(24)13-21(18)25/h4-14H,3,15H2,1-2H3/b26-14+.
What are the key properties of 1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine?
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylphenyl)methanimine has a molecular weight of 414.33 g/mol, XLogP of 7.03, 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-ethoxyphenyl]-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 126207064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).