1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine

C20H34FN5O — CID 111968299

IUPAC1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C20H34FN5O/c1-4-22-20(24-15-17(2)26-11-13-27-14-12-26)23-9-10-25(3)16-18-5-7-19(21)8-6-18/h5-8,17H,4,9-16H2,1-3H3,(H2,22,23,24)
InChIKeyGBDKQPWHGLIQGU-UHFFFAOYSA-N
MW379.52 g/mol
LogP1.53
Rot. Bonds9

About 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine

1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111968299) has the molecular formula C20H34FN5O and a molecular weight of 379.52 g/mol. Its IUPAC name is 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111968299
Molecular FormulaC20H34FN5O
Molecular Weight379.52 g/mol
Exact Mass379.27
IUPAC Name1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C20H34FN5O/c1-4-22-20(24-15-17(2)26-11-13-27-14-12-26)23-9-10-25(3)16-18-5-7-19(21)8-6-18/h5-8,17H,4,9-16H2,1-3H3,(H2,22,23,24)
InChIKeyGBDKQPWHGLIQGU-UHFFFAOYSA-N
XLogP1.53
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)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-3-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021468
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 111312662
2-[[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 111020979
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021484
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111312021
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111931943
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111021180
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)guanidine
CID 110978529
1-(3-anilinopropyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021154
1-[2-(2,4-difluorophenyl)propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111760372
1-ethyl-3-[3-(4-methoxyphenyl)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022138

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine (CID 111968299) is 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NCCN(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is GBDKQPWHGLIQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34FN5O/c1-4-22-20(24-15-17(2)26-11-13-27-14-12-26)23-9-10-25(3)16-18-5-7-19(21)8-6-18/h5-8,17H,4,9-16H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 379.52 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111968299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).