1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine

C15H24FN3 — CID 111101337

IUPAC1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
SMILESCCCCN/C(N)=N/CC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FN3/c1-4-5-10-18-14(17)19-11-15(2,3)12-6-8-13(16)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H3,17,18,19)
InChIKeyWYODBEPIUMSVPV-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.81
Rot. Bonds6

About 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine

1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine (PubChem CID 111101337) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
PubChem CID111101337
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
SMILESCCCCN/C(N)=N/CC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FN3/c1-4-5-10-18-14(17)19-11-15(2,3)12-6-8-13(16)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H3,17,18,19)
InChIKeyWYODBEPIUMSVPV-UHFFFAOYSA-N
XLogP2.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]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-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111101336
1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
CID 111101349
2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-hexylguanidine;hydroiodide
CID 111805199
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111101365
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111101364
1-butan-2-yl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111101396
1-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111582730
2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-propylguanidine
CID 111805182
2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-hexylguanidine;hydroiodide
CID 111823786
2-[2-(3-fluorophenyl)-2-methylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111625532
2-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-1-(3-ethoxypropyl)guanidine
CID 111091037
1-butyl-2-[(3-fluoro-4-methylphenyl)methyl]guanidine
CID 111037700

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine?
The IUPAC name of 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine (CID 111101337) is 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine.
What is the SMILES notation for 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine?
The canonical SMILES for 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine is CCCCN/C(N)=N/CC(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine?
The InChIKey is WYODBEPIUMSVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-4-5-10-18-14(17)19-11-15(2,3)12-6-8-13(16)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H3,17,18,19).
What are the key properties of 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine?
1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine has a molecular weight of 265.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine is sourced from PubChem (CID 111101337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).