4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline

C15H15ClN2O — CID 11334837

IUPAC4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline
SMILESCOc1ccc(/C=N/N(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O/c1-18(14-7-5-13(16)6-8-14)17-11-12-3-9-15(19-2)10-4-12/h3-11H,1-2H3/b17-11+
InChIKeyMAQDIHAWHPLBBQ-GZTJUZNOSA-N
MW274.75 g/mol
LogP3.82
Rot. Bonds4

About 4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline

4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline (PubChem CID 11334837) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline
PubChem CID11334837
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline
SMILESCOc1ccc(/C=N/N(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O/c1-18(14-7-5-13(16)6-8-14)17-11-12-3-9-15(19-2)10-4-12/h3-11H,1-2H3/b17-11+
InChIKeyMAQDIHAWHPLBBQ-GZTJUZNOSA-N
XLogP3.82
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline?
The IUPAC name of 4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline (CID 11334837) is 4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline.
What is the SMILES notation for 4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline?
The canonical SMILES for 4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline is COc1ccc(/C=N/N(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline?
The InChIKey is MAQDIHAWHPLBBQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18(14-7-5-13(16)6-8-14)17-11-12-3-9-15(19-2)10-4-12/h3-11H,1-2H3/b17-11+.
What are the key properties of 4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline?
4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline has a molecular weight of 274.75 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-N-methylaniline is sourced from PubChem (CID 11334837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).