4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol

C21H26N2O4 — CID 135596201

IUPAC4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
SMILESCOc1ccc([C@@H](C/N=C/c2cc(OC)ccc2O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-18-5-3-16(4-6-18)20(23-9-11-27-12-10-23)15-22-14-17-13-19(26-2)7-8-21(17)24/h3-8,13-14,20,24H,9-12,15H2,1-2H3/b22-14+/t20-/m1/s1
InChIKeyDKHIGJIGMSZMRW-YRXLECQKSA-N
MW370.45 g/mol
LogP2.90
Rot. Bonds7

About 4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol

4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol (PubChem CID 135596201) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
PubChem CID135596201
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
SMILESCOc1ccc([C@@H](C/N=C/c2cc(OC)ccc2O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-18-5-3-16(4-6-18)20(23-9-11-27-12-10-23)15-22-14-17-13-19(26-2)7-8-21(17)24/h3-8,13-14,20,24H,9-12,15H2,1-2H3/b22-14+/t20-/m1/s1
InChIKeyDKHIGJIGMSZMRW-YRXLECQKSA-N
XLogP2.90
TPSA63.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596199
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135596533
4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758319
5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol
CID 135828702
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135598202
4-chloro-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
CID 135596196
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135597885
2-(6-methoxynaphthalen-2-yl)-2-morpholin-4-ylethanamine
CID 16792697
[(1S)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597912

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol?
The IUPAC name of 4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol (CID 135596201) is 4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol is COc1ccc([C@@H](C/N=C/c2cc(OC)ccc2O)N2CCOCC2)cc1.
What is the InChIKey of 4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol?
The InChIKey is DKHIGJIGMSZMRW-YRXLECQKSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-18-5-3-16(4-6-18)20(23-9-11-27-12-10-23)15-22-14-17-13-19(26-2)7-8-21(17)24/h3-8,13-14,20,24H,9-12,15H2,1-2H3/b22-14+/t20-/m1/s1.
What are the key properties of 4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol?
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol has a molecular weight of 370.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 135596201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).