2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine

C11H14F3N3 — CID 62812620

IUPAC2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine
SMILESCC(C)C/N=C(\N)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C11H14F3N3/c1-6(2)5-16-11(15)17-9-4-7(12)3-8(13)10(9)14/h3-4,6H,5H2,1-2H3,(H3,15,16,17)
InChIKeyQSUXVANDLKWZRB-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine

2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine (PubChem CID 62812620) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine
PubChem CID62812620
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine
SMILESCC(C)C/N=C(\N)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C11H14F3N3/c1-6(2)5-16-11(15)17-9-4-7(12)3-8(13)10(9)14/h3-4,6H,5H2,1-2H3,(H3,15,16,17)
InChIKeyQSUXVANDLKWZRB-UHFFFAOYSA-N
XLogP2.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)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-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
CID 62381463
1-(5-fluoro-2-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62379802
1-(2-fluoro-5-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62378730
1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine
CID 62379621
1-[2-(3,5-difluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110921193
2,3,5-trifluoro-N-(2-methylpropyl)aniline
CID 62811497
N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide
CID 77029269
1-(4-bromo-3,5-dimethylphenyl)-2-(2-methylpropyl)guanidine
CID 107579098
3-amino-3-sulfanylidene-N-(2,3,5-trifluorophenyl)propanamide
CID 62814231
2,3,5-trifluoro-N-tri(propan-2-yl)silylaniline
CID 141042498
2-methyl-3-[(2,3,5-trifluorophenyl)carbamoylamino]propanoic acid
CID 62813246
(2S)-2-amino-N-(2,3,5-trifluorophenyl)pentanamide
CID 94872912

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine (CID 62812620) is 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine is CC(C)C/N=C(\N)Nc1cc(F)cc(F)c1F.
What is the InChIKey of 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine?
The InChIKey is QSUXVANDLKWZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-6(2)5-16-11(15)17-9-4-7(12)3-8(13)10(9)14/h3-4,6H,5H2,1-2H3,(H3,15,16,17).
What are the key properties of 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine?
2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine has a molecular weight of 245.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(2,3,5-trifluorophenyl)guanidine is sourced from PubChem (CID 62812620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).