2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine

C15H24FN3 — CID 111807126

IUPAC2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CCCc1cccc(F)c1
InChIInChI=1S/C15H24FN3/c1-12(2)8-10-19-15(17)18-9-4-6-13-5-3-7-14(16)11-13/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H3,17,18,19)
InChIKeyKWVMDSXCGFDKOY-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.71
Rot. Bonds7

About 2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine

2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine (PubChem CID 111807126) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine
PubChem CID111807126
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CCCc1cccc(F)c1
InChIInChI=1S/C15H24FN3/c1-12(2)8-10-19-15(17)18-9-4-6-13-5-3-7-14(16)11-13/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H3,17,18,19)
InChIKeyKWVMDSXCGFDKOY-UHFFFAOYSA-N
XLogP2.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.71
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'}

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Related Compounds

2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine
CID 111816076
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(3-fluorophenyl)propyl]guanidine;hydroiodide
CID 111807113
2-[3-[4-(dimethylamino)phenyl]propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111067831
2-(3-ethoxypropyl)-1-[2-(3-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111035389
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111092010
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089372
1-tert-butyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 62364401
1-(3-methylbutyl)-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046250
1-ethyl-2-[3-(3-fluorophenyl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111834620
N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83157209
2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-(3-methylbutyl)guanidine
CID 110032010

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine?
The IUPAC name of 2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine (CID 111807126) is 2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine?
The canonical SMILES for 2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine is CC(C)CCN/C(N)=N/CCCc1cccc(F)c1.
What is the InChIKey of 2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine?
The InChIKey is KWVMDSXCGFDKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12(2)8-10-19-15(17)18-9-4-6-13-5-3-7-14(16)11-13/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H3,17,18,19).
What are the key properties of 2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine?
2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine has a molecular weight of 265.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 111807126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).