1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine

C21H24FN3O — CID 111316104

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine
SMILESCC/N=C(/NC1CCOc2ccccc21)NC1CC1c1ccccc1F
InChIInChI=1S/C21H24FN3O/c1-2-23-21(24-18-11-12-26-20-10-6-4-8-15(18)20)25-19-13-16(19)14-7-3-5-9-17(14)22/h3-10,16,18-19H,2,11-13H2,1H3,(H2,23,24,25)
InChIKeyUCXWLZRLDAAOST-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.76
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine

1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine (PubChem CID 111316104) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine
PubChem CID111316104
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine
SMILESCC/N=C(/NC1CCOc2ccccc21)NC1CC1c1ccccc1F
InChIInChI=1S/C21H24FN3O/c1-2-23-21(24-18-11-12-26-20-10-6-4-8-15(18)20)25-19-13-16(19)14-7-3-5-9-17(14)22/h3-10,16,18-19H,2,11-13H2,1H3,(H2,23,24,25)
InChIKeyUCXWLZRLDAAOST-UHFFFAOYSA-N
XLogP3.76
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-chromen-4-yl)-2-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

2-ethyl-1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019486
2-ethyl-1-(3-ethylsulfinylcyclohexyl)-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 109440332
1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109392229
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136936
1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111771151
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109474139
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111906815
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111346441
N-[2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111316008
1-(3-butoxypropyl)-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 111238889

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine (CID 111316104) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine is CC/N=C(/NC1CCOc2ccccc21)NC1CC1c1ccccc1F.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine?
The InChIKey is UCXWLZRLDAAOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-2-23-21(24-18-11-12-26-20-10-6-4-8-15(18)20)25-19-13-16(19)14-7-3-5-9-17(14)22/h3-10,16,18-19H,2,11-13H2,1H3,(H2,23,24,25).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine has a molecular weight of 353.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111316104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).