1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine

C20H31F3N4O — CID 111837690

IUPAC1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
SMILESCCN/C(=N\CC(C)CN1CCOCC1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H31F3N4O/c1-3-24-19(26-14-16(2)15-27-10-12-28-13-11-27)25-9-8-17-4-6-18(7-5-17)20(21,22)23/h4-7,16H,3,8-15H2,1-2H3,(H2,24,25,26)
InChIKeyZNGPDYZZBJZTKC-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.77
Rot. Bonds8

About 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine

1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine (PubChem CID 111837690) has the molecular formula C20H31F3N4O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
PubChem CID111837690
Molecular FormulaC20H31F3N4O
Molecular Weight400.49 g/mol
Exact Mass400.24
IUPAC Name1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
SMILESCCN/C(=N\CC(C)CN1CCOCC1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H31F3N4O/c1-3-24-19(26-14-16(2)15-27-10-12-28-13-11-27)25-9-8-17-4-6-18(7-5-17)20(21,22)23/h4-7,16H,3,8-15H2,1-2H3,(H2,24,25,26)
InChIKeyZNGPDYZZBJZTKC-UHFFFAOYSA-N
XLogP2.77
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine 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

1-ethyl-2-[2-(4-methylpiperazin-1-yl)propyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295220
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021468
1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111840470
2-[[4-(dimethylamino)oxan-4-yl]methyl]-1-ethyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111783996
1-ethyl-2-(2-hydroxyethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295493
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine;hydroiodide
CID 111562365
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295771
1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111020904
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111379313
1-ethyl-2-[4-(4-methylpiperazin-1-yl)butyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295468
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111837533
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111215044

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine (CID 111837690) is 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine is CCN/C(=N\CC(C)CN1CCOCC1)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine?
The InChIKey is ZNGPDYZZBJZTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3N4O/c1-3-24-19(26-14-16(2)15-27-10-12-28-13-11-27)25-9-8-17-4-6-18(7-5-17)20(21,22)23/h4-7,16H,3,8-15H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine?
1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine has a molecular weight of 400.49 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine is sourced from PubChem (CID 111837690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).