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

C22H22N2O — CID 53376291

IUPACN-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline
SMILESCOc1ccc(/C=N/N(Cc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-18-8-12-21(13-9-18)24(17-20-6-4-3-5-7-20)23-16-19-10-14-22(25-2)15-11-19/h3-16H,17H2,1-2H3/b23-16+
InChIKeyRYJBAXBOSRJCMU-XQNSMLJCSA-N
MW330.43 g/mol
LogP5.04
Rot. Bonds6

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

N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline (PubChem CID 53376291) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline
PubChem CID53376291
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline
SMILESCOc1ccc(/C=N/N(Cc2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-18-8-12-21(13-9-18)24(17-20-6-4-3-5-7-20)23-16-19-10-14-22(25-2)15-11-19/h3-16H,17H2,1-2H3/b23-16+
InChIKeyRYJBAXBOSRJCMU-XQNSMLJCSA-N
XLogP5.04
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.04
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 N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline?
The IUPAC name of N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline (CID 53376291) is N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline.
What is the SMILES notation for N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline?
The canonical SMILES for N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline is COc1ccc(/C=N/N(Cc2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline?
The InChIKey is RYJBAXBOSRJCMU-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H22N2O/c1-18-8-12-21(13-9-18)24(17-20-6-4-3-5-7-20)23-16-19-10-14-22(25-2)15-11-19/h3-16H,17H2,1-2H3/b23-16+.
What are the key properties of N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline?
N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline has a molecular weight of 330.43 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylaniline is sourced from PubChem (CID 53376291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).