3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline

C22H20Cl2N2O2 — CID 110842449

IUPAC3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline
SMILESCOc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1OCc1ccccc1Cl
InChIInChI=1S/C22H20Cl2N2O2/c1-15-7-9-18(12-20(15)24)26-25-13-16-8-10-21(27-2)22(11-16)28-14-17-5-3-4-6-19(17)23/h3-13,26H,14H2,1-2H3
InChIKeyHHZMFHFJSLUICG-UHFFFAOYSA-N
MW415.32 g/mol
LogP6.34
Rot. Bonds7

About 3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline

3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline (PubChem CID 110842449) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline
PubChem CID110842449
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline
SMILESCOc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1OCc1ccccc1Cl
InChIInChI=1S/C22H20Cl2N2O2/c1-15-7-9-18(12-20(15)24)26-25-13-16-8-10-21(27-2)22(11-16)28-14-17-5-3-4-6-19(17)23/h3-13,26H,14H2,1-2H3
InChIKeyHHZMFHFJSLUICG-UHFFFAOYSA-N
XLogP6.34
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110506478
3-chloro-N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110506468
2-chloro-5-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 6145645
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 6294716
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 5430799
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
N-(3-chloro-4-methylphenyl)-N'-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4086690
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
CID 110504955

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline?
The IUPAC name of 3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline (CID 110842449) is 3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline is COc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1OCc1ccccc1Cl.
What is the InChIKey of 3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline?
The InChIKey is HHZMFHFJSLUICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-15-7-9-18(12-20(15)24)26-25-13-16-8-10-21(27-2)22(11-16)28-14-17-5-3-4-6-19(17)23/h3-13,26H,14H2,1-2H3.
What are the key properties of 3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline?
3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline has a molecular weight of 415.32 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline is sourced from PubChem (CID 110842449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).