4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline

C23H22Cl2N2O2 — CID 5032689

IUPAC4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline
SMILESCOc1cccc(/C=N/c2ccc(N(C)C)cc2)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H22Cl2N2O2/c1-27(2)20-11-9-19(10-12-20)26-14-16-5-4-6-22(28-3)23(16)29-15-17-7-8-18(24)13-21(17)25/h4-14H,15H2,1-3H3/b26-14+
InChIKeyWJFSQIFQKBKHBG-VULFUBBASA-N
MW429.35 g/mol
LogP6.40
Rot. Bonds7

About 4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline

4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline (PubChem CID 5032689) has the molecular formula C23H22Cl2N2O2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline
PubChem CID5032689
Molecular FormulaC23H22Cl2N2O2
Molecular Weight429.35 g/mol
Exact Mass428.11
IUPAC Name4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline
SMILESCOc1cccc(/C=N/c2ccc(N(C)C)cc2)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H22Cl2N2O2/c1-27(2)20-11-9-19(10-12-20)26-14-16-5-4-6-22(28-3)23(16)29-15-17-7-8-18(24)13-21(17)25/h4-14H,15H2,1-3H3/b26-14+
InChIKeyWJFSQIFQKBKHBG-VULFUBBASA-N
XLogP6.40
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol
CID 50885952
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
(5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[4-(dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126334892
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126040621
3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 20993958
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618551
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 98103649
1-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126217637
(1R,2R,6S,7R)-4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126412829
N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340261
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline?
The IUPAC name of 4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline (CID 5032689) is 4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline?
The canonical SMILES for 4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline is COc1cccc(/C=N/c2ccc(N(C)C)cc2)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline?
The InChIKey is WJFSQIFQKBKHBG-VULFUBBASA-N. The full InChI is InChI=1S/C23H22Cl2N2O2/c1-27(2)20-11-9-19(10-12-20)26-14-16-5-4-6-22(28-3)23(16)29-15-17-7-8-18(24)13-21(17)25/h4-14H,15H2,1-3H3/b26-14+.
What are the key properties of 4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline?
4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline has a molecular weight of 429.35 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline is sourced from PubChem (CID 5032689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).