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

C21H20N2O — CID 5333872

IUPACN-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O/c1-24-21-14-12-18(13-15-21)16-22-23(20-10-6-3-7-11-20)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3/b22-16+
InChIKeyGMGJWCZJOVMWBG-CJLVFECKSA-N
MW316.40 g/mol
LogP4.74
Rot. Bonds6

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

N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline (PubChem CID 5333872) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline
PubChem CID5333872
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O/c1-24-21-14-12-18(13-15-21)16-22-23(20-10-6-3-7-11-20)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3/b22-16+
InChIKeyGMGJWCZJOVMWBG-CJLVFECKSA-N
XLogP4.74
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.74
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]aniline?
The IUPAC name of N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline (CID 5333872) is N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline is COc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline?
The InChIKey is GMGJWCZJOVMWBG-CJLVFECKSA-N. The full InChI is InChI=1S/C21H20N2O/c1-24-21-14-12-18(13-15-21)16-22-23(20-10-6-3-7-11-20)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3/b22-16+.
What are the key properties of N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline?
N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline has a molecular weight of 316.40 g/mol, XLogP of 4.74, 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]aniline is sourced from PubChem (CID 5333872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).