2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol

C24H33N2O5+ — CID 135596340

IUPAC2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
SMILESCCOc1ccc(C(C/N=C/c2cccc(OCC)c2O)[NH+]2CCOCC2)cc1OC
InChIInChI=1S/C24H32N2O5/c1-4-30-21-10-9-18(15-23(21)28-3)20(26-11-13-29-14-12-26)17-25-16-19-7-6-8-22(24(19)27)31-5-2/h6-10,15-16,20,27H,4-5,11-14,17H2,1-3H3/p+1/b25-16+
InChIKeyXJUJCIFVCNJBCL-PCLIKHOPSA-O
MW429.54 g/mol
LogP2.27
Rot. Bonds10

About 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol

2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol (PubChem CID 135596340) has the molecular formula C24H33N2O5+ and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
PubChem CID135596340
Molecular FormulaC24H33N2O5+
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC Name2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
SMILESCCOc1ccc(C(C/N=C/c2cccc(OCC)c2O)[NH+]2CCOCC2)cc1OC
InChIInChI=1S/C24H32N2O5/c1-4-30-21-10-9-18(15-23(21)28-3)20(26-11-13-29-14-12-26)17-25-16-19-7-6-8-22(24(19)27)31-5-2/h6-10,15-16,20,27H,4-5,11-14,17H2,1-3H3/p+1/b25-16+
InChIKeyXJUJCIFVCNJBCL-PCLIKHOPSA-O
XLogP2.27
TPSA73.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol 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

4-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135828717
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135597885
2-[[(2R)-2-(dimethylamino)-2-phenylethyl]iminomethyl]-6-ethoxyphenol
CID 135595845
2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818063
2-[(3-ethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135657498
2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-methoxy-6-(2-morpholin-4-ylethyliminomethyl)phenol
CID 4072556
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-ethoxy-6-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenol
CID 135852425

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol (CID 135596340) is 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol is CCOc1ccc(C(C/N=C/c2cccc(OCC)c2O)[NH+]2CCOCC2)cc1OC.
What is the InChIKey of 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol?
The InChIKey is XJUJCIFVCNJBCL-PCLIKHOPSA-O. The full InChI is InChI=1S/C24H32N2O5/c1-4-30-21-10-9-18(15-23(21)28-3)20(26-11-13-29-14-12-26)17-25-16-19-7-6-8-22(24(19)27)31-5-2/h6-10,15-16,20,27H,4-5,11-14,17H2,1-3H3/p+1/b25-16+.
What are the key properties of 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol?
2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol has a molecular weight of 429.54 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 135596340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).