2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine

C14H20N2O3 — CID 62048650

IUPAC2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine
SMILES[H]/N=C(/Cc1ccc(OC)c(OC)c1)N1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-17-12-4-3-11(9-13(12)18-2)10-14(15)16-5-7-19-8-6-16/h3-4,9,15H,5-8,10H2,1-2H3/b15-14-
InChIKeyKMISTOCVFCZRCR-PFONDFGASA-N
MW264.32 g/mol
LogP1.56
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine

2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine (PubChem CID 62048650) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine
PubChem CID62048650
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine
SMILES[H]/N=C(/Cc1ccc(OC)c(OC)c1)N1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-17-12-4-3-11(9-13(12)18-2)10-14(15)16-5-7-19-8-6-16/h3-4,9,15H,5-8,10H2,1-2H3/b15-14-
InChIKeyKMISTOCVFCZRCR-PFONDFGASA-N
XLogP1.56
TPSA54.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94818251
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 658810
2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide
CID 110286938
N-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]morpholin-4-amine
CID 30983005
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113140660
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113121873
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
CID 2769761
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine (CID 62048650) is 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine is [H]/N=C(/Cc1ccc(OC)c(OC)c1)N1CCOCC1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine?
The InChIKey is KMISTOCVFCZRCR-PFONDFGASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-17-12-4-3-11(9-13(12)18-2)10-14(15)16-5-7-19-8-6-16/h3-4,9,15H,5-8,10H2,1-2H3/b15-14-.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine?
2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine has a molecular weight of 264.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanimine is sourced from PubChem (CID 62048650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).