3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline

C23H23ClN2O2 — CID 110506478

IUPAC3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
SMILESCOc1ccc(/C=N/Nc2ccc(C)c(Cl)c2)cc1OCc1ccc(C)cc1
InChIInChI=1S/C23H23ClN2O2/c1-16-4-7-18(8-5-16)15-28-23-12-19(9-11-22(23)27-3)14-25-26-20-10-6-17(2)21(24)13-20/h4-14,26H,15H2,1-3H3/b25-14+
InChIKeySBRBZPYLLIFLDO-AFUMVMLFSA-N
MW394.90 g/mol
LogP5.99
Rot. Bonds7

About 3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline

3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline (PubChem CID 110506478) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
PubChem CID110506478
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
SMILESCOc1ccc(/C=N/Nc2ccc(C)c(Cl)c2)cc1OCc1ccc(C)cc1
InChIInChI=1S/C23H23ClN2O2/c1-16-4-7-18(8-5-16)15-28-23-12-19(9-11-22(23)27-3)14-25-26-20-10-6-17(2)21(24)13-20/h4-14,26H,15H2,1-3H3/b25-14+
InChIKeySBRBZPYLLIFLDO-AFUMVMLFSA-N
XLogP5.99
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.99
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-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842449
4-fluoro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110506224
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethylaniline
CID 110841045
3-[(2E)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110505152
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
2-[4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 110842433
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
4-[[4-[(E)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 19656131
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxyaniline
CID 110508914
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]aniline
CID 110840523
3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
The IUPAC name of 3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline (CID 110506478) is 3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline is COc1ccc(/C=N/Nc2ccc(C)c(Cl)c2)cc1OCc1ccc(C)cc1.
What is the InChIKey of 3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
The InChIKey is SBRBZPYLLIFLDO-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-16-4-7-18(8-5-16)15-28-23-12-19(9-11-22(23)27-3)14-25-26-20-10-6-17(2)21(24)13-20/h4-14,26H,15H2,1-3H3/b25-14+.
What are the key properties of 3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline?
3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline has a molecular weight of 394.90 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline is sourced from PubChem (CID 110506478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).