1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine

C15H20F3N3O2 — CID 111819280

IUPAC1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
SMILESCOCC(C)N/C(N)=N/C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-9(8-22-2)20-14(19)21-12-7-11(12)10-5-3-4-6-13(10)23-15(16,17)18/h3-6,9,11-12H,7-8H2,1-2H3,(H3,19,20,21)
InChIKeyQFNDONNGDXFLLB-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.38
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine

1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine (PubChem CID 111819280) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
PubChem CID111819280
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
SMILESCOCC(C)N/C(N)=N/C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-9(8-22-2)20-14(19)21-12-7-11(12)10-5-3-4-6-13(10)23-15(16,17)18/h3-6,9,11-12H,7-8H2,1-2H3,(H3,19,20,21)
InChIKeyQFNDONNGDXFLLB-UHFFFAOYSA-N
XLogP2.38
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]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-(3-chloro-4-methoxyphenyl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
CID 111819302
cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 95775915
2-methyl-1-propan-2-yl-3-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
CID 111772028
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354
1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810564
(2S)-4-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119362041
(2S,3S)-3-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119193778
(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 120615374
N-[(2R)-2-(ethylamino)propyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 120651037
2-[(2-ethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044339
1-(1-methoxypropan-2-yl)-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111235310
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119581655

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine (CID 111819280) is 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine is COCC(C)N/C(N)=N/C1CC1c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine?
The InChIKey is QFNDONNGDXFLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-9(8-22-2)20-14(19)21-12-7-11(12)10-5-3-4-6-13(10)23-15(16,17)18/h3-6,9,11-12H,7-8H2,1-2H3,(H3,19,20,21).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine?
1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine has a molecular weight of 331.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine is sourced from PubChem (CID 111819280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).