1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine

C15H24FN3 — CID 111266057

IUPAC1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine
SMILESC/N=C(\NCCCC(C)C)NCc1ccccc1F
InChIInChI=1S/C15H24FN3/c1-12(2)7-6-10-18-15(17-3)19-11-13-8-4-5-9-14(13)16/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,17,18,19)
InChIKeyRACZDVFRFYKAPX-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.93
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine

1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine (PubChem CID 111266057) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine
PubChem CID111266057
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine
SMILESC/N=C(\NCCCC(C)C)NCc1ccccc1F
InChIInChI=1S/C15H24FN3/c1-12(2)7-6-10-18-15(17-3)19-11-13-8-4-5-9-14(13)16/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,17,18,19)
InChIKeyRACZDVFRFYKAPX-UHFFFAOYSA-N
XLogP2.93
TPSA36.42 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 ≤ 52.93
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

1-[(2-fluorophenyl)methyl]-2-methyl-3-pentylguanidine
CID 111128251
1-[3-[di(propan-2-yl)amino]propyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111692171
1-[2-(2-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266097
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111865004
1-[(5-cyano-2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111521609
1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626539
propan-2-yl 3-[[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111264555
1-[(2-fluorophenyl)methyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111264723
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943432
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 111548269
1-[(2-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111173878
1-(2-cyclopropylethyl)-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111604575

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine (CID 111266057) is 1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine is C/N=C(\NCCCC(C)C)NCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine?
The InChIKey is RACZDVFRFYKAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12(2)7-6-10-18-15(17-3)19-11-13-8-4-5-9-14(13)16/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine?
1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine has a molecular weight of 265.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-methyl-3-(4-methylpentyl)guanidine is sourced from PubChem (CID 111266057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).