1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine

C20H34N4O3 — CID 111040745

IUPAC1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine
SMILESCCOc1ccc(OCC)c(N/C(N)=N/CCCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C20H34N4O3/c1-5-25-17-8-9-19(26-6-2)18(12-17)23-20(21)22-10-7-11-24-13-15(3)27-16(4)14-24/h8-9,12,15-16H,5-7,10-11,13-14H2,1-4H3,(H3,21,22,23)
InChIKeyWFSYESCOMODPCO-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.71
Rot. Bonds9

About 1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine

1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine (PubChem CID 111040745) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine
PubChem CID111040745
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine
SMILESCCOc1ccc(OCC)c(N/C(N)=N/CCCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C20H34N4O3/c1-5-25-17-8-9-19(26-6-2)18(12-17)23-20(21)22-10-7-11-24-13-15(3)27-16(4)14-24/h8-9,12,15-16H,5-7,10-11,13-14H2,1-4H3,(H3,21,22,23)
InChIKeyWFSYESCOMODPCO-UHFFFAOYSA-N
XLogP2.71
TPSA81.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111040720
1-(2,5-diethoxyphenyl)-2-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111816118
2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
CID 111040816
2-[2-[butyl(methyl)amino]ethyl]-1-(2,5-diethoxyphenyl)guanidine
CID 111802352
1-(2,5-diethoxyphenyl)-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111066603
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
CID 111096534
1-(2,5-diethoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111822463
1-(2,5-diethoxyphenyl)-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111800679
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720856
1-(2,5-dimethoxyphenyl)-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047353
1-(2,5-diethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111033550
1-(2,5-diethoxyphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
CID 111098843

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine?
The IUPAC name of 1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine (CID 111040745) is 1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine?
The canonical SMILES for 1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine is CCOc1ccc(OCC)c(N/C(N)=N/CCCN2CC(C)OC(C)C2)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine?
The InChIKey is WFSYESCOMODPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-5-25-17-8-9-19(26-6-2)18(12-17)23-20(21)22-10-7-11-24-13-15(3)27-16(4)14-24/h8-9,12,15-16H,5-7,10-11,13-14H2,1-4H3,(H3,21,22,23).
What are the key properties of 1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine?
1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine has a molecular weight of 378.52 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)-2-[3-(2,6-dimethylmorpholin-4-yl)propyl]guanidine is sourced from PubChem (CID 111040745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).