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

C18H21N3O — CID 5336006

IUPAC2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
SMILESCc1ccccc1N/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O/c1-15-4-2-3-5-18(15)20-19-14-16-6-8-17(9-7-16)21-10-12-22-13-11-21/h2-9,14,20H,10-13H2,1H3/b19-14+
InChIKeyYSYHNGIAXDUQGZ-XMHGGMMESA-N
MW295.39 g/mol
LogP3.28
Rot. Bonds4

About 2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline

2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline (PubChem CID 5336006) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
PubChem CID5336006
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
SMILESCc1ccccc1N/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O/c1-15-4-2-3-5-18(15)20-19-14-16-6-8-17(9-7-16)21-10-12-22-13-11-21/h2-9,14,20H,10-13H2,1H3/b19-14+
InChIKeyYSYHNGIAXDUQGZ-XMHGGMMESA-N
XLogP3.28
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.28
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 2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline?
The IUPAC name of 2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline (CID 5336006) is 2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline.
What is the SMILES notation for 2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline?
The canonical SMILES for 2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline is Cc1ccccc1N/N=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline?
The InChIKey is YSYHNGIAXDUQGZ-XMHGGMMESA-N. The full InChI is InChI=1S/C18H21N3O/c1-15-4-2-3-5-18(15)20-19-14-16-6-8-17(9-7-16)21-10-12-22-13-11-21/h2-9,14,20H,10-13H2,1H3/b19-14+.
What are the key properties of 2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline?
2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline has a molecular weight of 295.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]aniline is sourced from PubChem (CID 5336006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).