ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine

C17H26N2O2 — CID 157044214

IUPACethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine
SMILESC=Nc1ccc(N2CCOC(C)C2)cc1C(=C)OC.CC
InChIInChI=1S/C15H20N2O2.C2H6/c1-11-10-17(7-8-19-11)13-5-6-15(16-3)14(9-13)12(2)18-4;1-2/h5-6,9,11H,2-3,7-8,10H2,1,4H3;1-2H3
InChIKeyKNOLCTTUWLDJGG-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.89
Rot. Bonds4

About ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine

ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine (PubChem CID 157044214) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine.

Molecular Properties

Compound Nameethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine
PubChem CID157044214
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine
SMILESC=Nc1ccc(N2CCOC(C)C2)cc1C(=C)OC.CC
InChIInChI=1S/C15H20N2O2.C2H6/c1-11-10-17(7-8-19-11)13-5-6-15(16-3)14(9-13)12(2)18-4;1-2/h5-6,9,11H,2-3,7-8,10H2,1,4H3;1-2H3
InChIKeyKNOLCTTUWLDJGG-UHFFFAOYSA-N
XLogP3.89
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-fluoroazetidin-1-yl)-2-(1-methoxyethenyl)phenyl]methanimine
CID 157043786
1-[2-amino-4-(2-methylmorpholin-4-yl)phenyl]ethanone
CID 104528165
2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
CID 62946063
4-(3-chlorophenyl)-2-methylmorpholine
CID 170319463
1-[4-(2-methylmorpholin-4-yl)phenyl]ethanol
CID 43505918
3-methoxy-5-(2-methylmorpholin-4-yl)aniline
CID 80726541
2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 81279659
4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637249
2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637279
[5-(2-methylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 115486800
N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 91661182
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 115366639

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine?
The IUPAC name of ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine (CID 157044214) is ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine.
What is the SMILES notation for ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine?
The canonical SMILES for ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine is C=Nc1ccc(N2CCOC(C)C2)cc1C(=C)OC.CC.
What is the InChIKey of ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine?
The InChIKey is KNOLCTTUWLDJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.C2H6/c1-11-10-17(7-8-19-11)13-5-6-15(16-3)14(9-13)12(2)18-4;1-2/h5-6,9,11H,2-3,7-8,10H2,1,4H3;1-2H3.
What are the key properties of ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine?
ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine has a molecular weight of 290.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(1-methoxyethenyl)-4-(2-methylmorpholin-4-yl)phenyl]methanimine is sourced from PubChem (CID 157044214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).