N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline

C16H18N2O2 — CID 5333433

IUPACN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline
SMILESCOc1ccc(OC)c(/C=N/N(C)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-18(14-7-5-4-6-8-14)17-12-13-11-15(19-2)9-10-16(13)20-3/h4-12H,1-3H3/b17-12+
InChIKeyODISPFXEQXIPLE-SFQUDFHCSA-N
MW270.33 g/mol
LogP3.17
Rot. Bonds5

About N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline (PubChem CID 5333433) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline
PubChem CID5333433
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline
SMILESCOc1ccc(OC)c(/C=N/N(C)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-18(14-7-5-4-6-8-14)17-12-13-11-15(19-2)9-10-16(13)20-3/h4-12H,1-3H3/b17-12+
InChIKeyODISPFXEQXIPLE-SFQUDFHCSA-N
XLogP3.17
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline?
The IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline (CID 5333433) is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline.
What is the SMILES notation for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline?
The canonical SMILES for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline is COc1ccc(OC)c(/C=N/N(C)c2ccccc2)c1.
What is the InChIKey of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline?
The InChIKey is ODISPFXEQXIPLE-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(14-7-5-4-6-8-14)17-12-13-11-15(19-2)9-10-16(13)20-3/h4-12H,1-3H3/b17-12+.
What are the key properties of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline?
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline has a molecular weight of 270.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-methylaniline is sourced from PubChem (CID 5333433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).