2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine

C15H20F3N3O2 — CID 122099258

IUPAC2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
SMILESCC1CC(C/N=C(\N)Nc2ccccc2OC(F)(F)F)C(C)O1
InChIInChI=1S/C15H20F3N3O2/c1-9-7-11(10(2)22-9)8-20-14(19)21-12-5-3-4-6-13(12)23-15(16,17)18/h3-6,9-11H,7-8H2,1-2H3,(H3,19,20,21)
InChIKeyBORWZLJYQFIYHA-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.13
Rot. Bonds4

About 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine

2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine (PubChem CID 122099258) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine.

Molecular Properties

Compound Name2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
PubChem CID122099258
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
SMILESCC1CC(C/N=C(\N)Nc2ccccc2OC(F)(F)F)C(C)O1
InChIInChI=1S/C15H20F3N3O2/c1-9-7-11(10(2)22-9)8-20-14(19)21-12-5-3-4-6-13(12)23-15(16,17)18/h3-6,9-11H,7-8H2,1-2H3,(H3,19,20,21)
InChIKeyBORWZLJYQFIYHA-UHFFFAOYSA-N
XLogP3.13
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.13
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 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]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-[(1,4-dimethylpiperazin-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955508
2-(cyclohex-3-en-1-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 119955491
2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 110018448
2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 110050328
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955496
2-(4-propan-2-yloxybutyl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 110029210
2-(3,3-difluorocyclobutyl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 120514508
2-[3-(oxan-2-yl)propyl]-1-[2-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110033320
2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110028833
2-[2-(1,3-thiazol-2-yl)propyl]-1-[2-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110032796
N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline
CID 82833774
1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 75419855

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine?
The IUPAC name of 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine (CID 122099258) is 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine.
What is the SMILES notation for 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine?
The canonical SMILES for 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine is CC1CC(C/N=C(\N)Nc2ccccc2OC(F)(F)F)C(C)O1.
What is the InChIKey of 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine?
The InChIKey is BORWZLJYQFIYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-9-7-11(10(2)22-9)8-20-14(19)21-12-5-3-4-6-13(12)23-15(16,17)18/h3-6,9-11H,7-8H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine?
2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine has a molecular weight of 331.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine is sourced from PubChem (CID 122099258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).