N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline

C17H19N3O — CID 5340585

IUPACN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
SMILESC(=N/Nc1ccccc1)\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O/c1-2-4-16(5-3-1)19-18-14-15-6-8-17(9-7-15)20-10-12-21-13-11-20/h1-9,14,19H,10-13H2/b18-14+
InChIKeyAOZBQCDCTRIVFT-NBVRZTHBSA-N
MW281.36 g/mol
LogP2.97
Rot. Bonds4

About N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline

N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline (PubChem CID 5340585) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
PubChem CID5340585
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
SMILESC(=N/Nc1ccccc1)\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O/c1-2-4-16(5-3-1)19-18-14-15-6-8-17(9-7-15)20-10-12-21-13-11-20/h1-9,14,19H,10-13H2/b18-14+
InChIKeyAOZBQCDCTRIVFT-NBVRZTHBSA-N
XLogP2.97
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline (CID 5340585) is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline is C(=N/Nc1ccccc1)\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline?
The InChIKey is AOZBQCDCTRIVFT-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-4-16(5-3-1)19-18-14-15-6-8-17(9-7-15)20-10-12-21-13-11-20/h1-9,14,19H,10-13H2/b18-14+.
What are the key properties of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline?
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline has a molecular weight of 281.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline is sourced from PubChem (CID 5340585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).