N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline

C20H25N3O — CID 6902615

IUPACN-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline
SMILESCCN(Cc1ccccc1)c1ccc(/C=N/N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-22(17-19-6-4-3-5-7-19)20-10-8-18(9-11-20)16-21-23-12-14-24-15-13-23/h3-11,16H,2,12-15,17H2,1H3/b21-16+
InChIKeyBSYMLBAUOYPUHG-LTGZKZEYSA-N
MW323.44 g/mol
LogP3.38
Rot. Bonds6

About N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline

N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline (PubChem CID 6902615) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline
PubChem CID6902615
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline
SMILESCCN(Cc1ccccc1)c1ccc(/C=N/N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-22(17-19-6-4-3-5-7-19)20-10-8-18(9-11-20)16-21-23-12-14-24-15-13-23/h3-11,16H,2,12-15,17H2,1H3/b21-16+
InChIKeyBSYMLBAUOYPUHG-LTGZKZEYSA-N
XLogP3.38
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde, 4-(diethylamino)-, 2,2-diphenylhydrazone
CID 92377
N-(2-Methylbenzylidene)-4-phenyl-1-piperazinamine
CID 5347767
N-(3-Methylbenzylidene)-4-phenyl-1-piperazinamine
CID 5347951
N1,N1-Dimethyl-N4-(4-morpholinobenzylidene)-1,4-benzenediamine
CID 628093
4-(p-Tolyl)morpholine
CID 766255
N-benzylidene-4-phenyl-1-piperazinamine
CID 5727501
N-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]methanamine
CID 6901444
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-N,N-dimethylaniline
CID 9622517
4-(4-Morpholinyl)benzaldehyde (2-methylphenyl)hydrazone
CID 5336006
3-[4-(4-Morpholinyl)phenyl]-2-phenylacrylonitrile
CID 892247
N-(2-chloro-3-phenyl-2-propen-1-ylidene)-4-(4-methylphenyl)-1-piperazinamine
CID 5727526
N,N-dimethyl-4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]aniline
CID 5726836

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline?
The IUPAC name of N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline (CID 6902615) is N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline.
What is the SMILES notation for N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline?
The canonical SMILES for N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline is CCN(Cc1ccccc1)c1ccc(/C=N/N2CCOCC2)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline?
The InChIKey is BSYMLBAUOYPUHG-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-22(17-19-6-4-3-5-7-19)20-10-8-18(9-11-20)16-21-23-12-14-24-15-13-23/h3-11,16H,2,12-15,17H2,1H3/b21-16+.
What are the key properties of N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline?
N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline has a molecular weight of 323.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-[(E)-morpholin-4-yliminomethyl]aniline is sourced from PubChem (CID 6902615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).