2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine

C21H28FN3O2 — CID 111661851

IUPAC2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1cc(C)oc1C)NC1CC1c1ccccc1F
InChIInChI=1S/C21H28FN3O2/c1-5-23-20(24-12-21(4,26)17-10-13(2)27-14(17)3)25-19-11-16(19)15-8-6-7-9-18(15)22/h6-10,16,19,26H,5,11-12H2,1-4H3,(H2,23,24,25)
InChIKeyPRSZPUKFOWCKLB-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.35
Rot. Bonds6

About 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine

2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine (PubChem CID 111661851) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine
PubChem CID111661851
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1cc(C)oc1C)NC1CC1c1ccccc1F
InChIInChI=1S/C21H28FN3O2/c1-5-23-20(24-12-21(4,26)17-10-13(2)27-14(17)3)25-19-11-16(19)15-8-6-7-9-18(15)22/h6-10,16,19,26H,5,11-12H2,1-4H3,(H2,23,24,25)
InChIKeyPRSZPUKFOWCKLB-UHFFFAOYSA-N
XLogP3.35
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]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-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-ethylguanidine;hydroiodide
CID 111662086
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109474139
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[(3-fluorophenyl)methyl]guanidine
CID 111877779
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 109420295
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-ethylguanidine
CID 111661875
1-butyl-2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-ethylguanidine;hydroiodide
CID 111661046
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136936
N-cyclopropyl-4-[[N'-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-N-ethylcarbamimidoyl]amino]butanamide
CID 111662011
2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-(4-phenoxybutyl)guanidine;hydroiodide
CID 111660832
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111896762
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine
CID 110976217
2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111661043

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine?
The IUPAC name of 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine (CID 111661851) is 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine.
What is the SMILES notation for 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine?
The canonical SMILES for 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine is CCN/C(=N\CC(C)(O)c1cc(C)oc1C)NC1CC1c1ccccc1F.
What is the InChIKey of 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine?
The InChIKey is PRSZPUKFOWCKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-5-23-20(24-12-21(4,26)17-10-13(2)27-14(17)3)25-19-11-16(19)15-8-6-7-9-18(15)22/h6-10,16,19,26H,5,11-12H2,1-4H3,(H2,23,24,25).
What are the key properties of 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine?
2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine has a molecular weight of 373.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111661851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).