N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine

C28H33N3O4 — CID 58060423

IUPACN-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
SMILESCOc1ccc(CCOc2cc(C/N=C/c3cccc(C)c3)cc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C28H33N3O4/c1-21-5-4-6-23(15-21)19-29-20-24-17-27(31-10-13-34-14-11-31)30-28(18-24)35-12-9-22-7-8-25(32-2)26(16-22)33-3/h4-8,15-19H,9-14,20H2,1-3H3/b29-19+
InChIKeyMVUGCMLXPMWSLG-VUTHCHCSSA-N
MW475.59 g/mol
LogP4.48
Rot. Bonds10

About N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine

N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine (PubChem CID 58060423) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
PubChem CID58060423
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
SMILESCOc1ccc(CCOc2cc(C/N=C/c3cccc(C)c3)cc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C28H33N3O4/c1-21-5-4-6-23(15-21)19-29-20-24-17-27(31-10-13-34-14-11-31)30-28(18-24)35-12-9-22-7-8-25(32-2)26(16-22)33-3/h4-8,15-19H,9-14,20H2,1-3H3/b29-19+
InChIKeyMVUGCMLXPMWSLG-VUTHCHCSSA-N
XLogP4.48
TPSA65.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyridin-2-amine;methanesulfonic acid
CID 16662174
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831887
1-(3-methylphenyl)-N-[[6-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]methanimine
CID 58060439
N-[[6-[2-(2,3-dimethylimidazol-4-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060561
2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-4-yl]oxyethyl morpholine-4-carboxylate
CID 11662808
[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91383917
1-(3-methylphenyl)-N-[[4-morpholin-4-yl-6-[2-(4-oxidomorpholin-4-ium-4-yl)ethoxy]-2-pyridinyl]methyl]methanimine
CID 58060217
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
CID 58060102
2-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 135443357
ethyl N-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]carbamate
CID 58060069
(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine
CID 11510369
2-methyl-1-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-3-propylguanidine
CID 58060487

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The IUPAC name of N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine (CID 58060423) is N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine.
What is the SMILES notation for N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The canonical SMILES for N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine is COc1ccc(CCOc2cc(C/N=C/c3cccc(C)c3)cc(N3CCOCC3)n2)cc1OC.
What is the InChIKey of N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The InChIKey is MVUGCMLXPMWSLG-VUTHCHCSSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-21-5-4-6-23(15-21)19-29-20-24-17-27(31-10-13-34-14-11-31)30-28(18-24)35-12-9-22-7-8-25(32-2)26(16-22)33-3/h4-8,15-19H,9-14,20H2,1-3H3/b29-19+.
What are the key properties of N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine has a molecular weight of 475.59 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 58060423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).