1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide

C17H27FIN3O — CID 111794246

IUPAC1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1(c2ccccc2F)CC1)NC(C)COC.I
InChIInChI=1S/C17H26FN3O.HI/c1-4-19-16(21-13(2)11-22-3)20-12-17(9-10-17)14-7-5-6-8-15(14)18;/h5-8,13H,4,9-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyQXNAZYBXKYUVTI-UHFFFAOYSA-N
MW435.33 g/mol
LogP3.07
Rot. Bonds7

About 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide

1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111794246) has the molecular formula C17H27FIN3O and a molecular weight of 435.33 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111794246
Molecular FormulaC17H27FIN3O
Molecular Weight435.33 g/mol
Exact Mass435.12
IUPAC Name1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1(c2ccccc2F)CC1)NC(C)COC.I
InChIInChI=1S/C17H26FN3O.HI/c1-4-19-16(21-13(2)11-22-3)20-12-17(9-10-17)14-7-5-6-8-15(14)18;/h5-8,13H,4,9-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyQXNAZYBXKYUVTI-UHFFFAOYSA-N
XLogP3.07
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 53.07
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide 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-(1-methoxypropan-2-yl)-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111237922
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(3-propan-2-yloxypropyl)guanidine
CID 111794559
1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-propan-2-ylguanidine
CID 111125690
1-ethyl-2-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111965602
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979201
1-ethyl-3-(2-methoxyethyl)-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110941791
2-benzyl-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236133
1-ethyl-2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126844
1-ethyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111763816
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine
CID 111816564
1-ethyl-2-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110975350
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine
CID 111236665

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111794246) is 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide is CCN/C(=N\CC1(c2ccccc2F)CC1)NC(C)COC.I.
What is the InChIKey of 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is QXNAZYBXKYUVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O.HI/c1-4-19-16(21-13(2)11-22-3)20-12-17(9-10-17)14-7-5-6-8-15(14)18;/h5-8,13H,4,9-12H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 435.33 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111794246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).