1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

C22H31FN4O3 — CID 111515196

IUPAC1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H31FN4O3/c1-3-24-21(26-16-22(2,28)20-5-4-12-30-20)25-15-19(27-10-13-29-14-11-27)17-6-8-18(23)9-7-17/h4-9,12,19,28H,3,10-11,13-16H2,1-2H3,(H2,24,25,26)
InChIKeyXCDRYZWQWZRQEJ-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.25
Rot. Bonds8

About 1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine

1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (PubChem CID 111515196) has the molecular formula C22H31FN4O3 and a molecular weight of 418.51 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
PubChem CID111515196
Molecular FormulaC22H31FN4O3
Molecular Weight418.51 g/mol
Exact Mass418.24
IUPAC Name1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C22H31FN4O3/c1-3-24-21(26-16-22(2,28)20-5-4-12-30-20)25-15-19(27-10-13-29-14-11-27)17-6-8-18(23)9-7-17/h4-9,12,19,28H,3,10-11,13-16H2,1-2H3,(H2,24,25,26)
InChIKeyXCDRYZWQWZRQEJ-UHFFFAOYSA-N
XLogP2.25
TPSA82.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]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-(furan-2-yl)-2-hydroxypropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111515101
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111514273
1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111312707
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672331
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111672110
1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(methanesulfonamido)-2-methylpropyl]guanidine;hydroiodide
CID 111784187
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111312416
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111008205
2-[(2,5-difluorophenyl)methyl]-1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 111784170
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 111312084
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111672986
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111664264

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine (CID 111515196) is 1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
The InChIKey is XCDRYZWQWZRQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O3/c1-3-24-21(26-16-22(2,28)20-5-4-12-30-20)25-15-19(27-10-13-29-14-11-27)17-6-8-18(23)9-7-17/h4-9,12,19,28H,3,10-11,13-16H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine?
1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine has a molecular weight of 418.51 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine is sourced from PubChem (CID 111515196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).