1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine

C21H35FN4O2 — CID 111998699

IUPAC1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C21H35FN4O2/c1-4-23-21(25-15-20(27)17-5-7-18(22)8-6-17)24-14-19(13-16(2)3)26-9-11-28-12-10-26/h5-8,16,19-20,27H,4,9-15H2,1-3H3,(H2,23,24,25)
InChIKeyKQGISSOBPIEQKQ-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.16
Rot. Bonds9

About 1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine

1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine (PubChem CID 111998699) has the molecular formula C21H35FN4O2 and a molecular weight of 394.54 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
PubChem CID111998699
Molecular FormulaC21H35FN4O2
Molecular Weight394.54 g/mol
Exact Mass394.27
IUPAC Name1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C21H35FN4O2/c1-4-23-21(25-15-20(27)17-5-7-18(22)8-6-17)24-14-19(13-16(2)3)26-9-11-28-12-10-26/h5-8,16,19-20,27H,4,9-15H2,1-3H3,(H2,23,24,25)
InChIKeyKQGISSOBPIEQKQ-UHFFFAOYSA-N
XLogP2.16
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.16
H-Bond Donors ≤ 53
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)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)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-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine
CID 111312586
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111312585
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111665395
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111936183
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111312416
2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111935050
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)guanidine
CID 110978529
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-prop-2-ynylguanidine
CID 111848569
1-ethyl-3-(3-methylbutan-2-yl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111002772
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188064
1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022093
1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
CID 111712598

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine (CID 111998699) is 1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine is CCN/C(=N\CC(CC(C)C)N1CCOCC1)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The InChIKey is KQGISSOBPIEQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35FN4O2/c1-4-23-21(25-15-20(27)17-5-7-18(22)8-6-17)24-14-19(13-16(2)3)26-9-11-28-12-10-26/h5-8,16,19-20,27H,4,9-15H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine has a molecular weight of 394.54 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine is sourced from PubChem (CID 111998699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).