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

C15H24FN3 — CID 111101349

IUPAC1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FN3/c1-14(2,3)19-13(17)18-10-15(4,5)11-6-8-12(16)9-7-11/h6-9H,10H2,1-5H3,(H3,17,18,19)
InChIKeyLNHLOPCHKXGUJZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.81
Rot. Bonds3

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

1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine (PubChem CID 111101349) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
PubChem CID111101349
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FN3/c1-14(2,3)19-13(17)18-10-15(4,5)11-6-8-12(16)9-7-11/h6-9H,10H2,1-5H3,(H3,17,18,19)
InChIKeyLNHLOPCHKXGUJZ-UHFFFAOYSA-N
XLogP2.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089683
1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
CID 111101337
1-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111101336
1-butan-2-yl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111101396
1-tert-butyl-2-[2-(2,4-difluorophenyl)-2-hydroxypropyl]guanidine
CID 111823785
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111101365
1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111100253
2-[2-(4-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111101364
1-tert-butyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164279
1-tert-butyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111044974
1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089665
1-tert-butyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 62364401

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine (CID 111101349) is 1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine is CC(C)(C)N/C(N)=N/CC(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine?
The InChIKey is LNHLOPCHKXGUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-14(2,3)19-13(17)18-10-15(4,5)11-6-8-12(16)9-7-11/h6-9H,10H2,1-5H3,(H3,17,18,19).
What are the key properties of 1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine?
1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine has a molecular weight of 265.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine is sourced from PubChem (CID 111101349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).