2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine

C14H22FN3 — CID 111095348

IUPAC2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(C)(C)c1ccccc1F
InChIInChI=1S/C14H22FN3/c1-10(2)18-13(16)17-9-14(3,4)11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3,(H3,16,17,18)
InChIKeyNHGIPZHRFSAUPE-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.42
Rot. Bonds4

About 2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine

2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine (PubChem CID 111095348) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine
PubChem CID111095348
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(C)(C)c1ccccc1F
InChIInChI=1S/C14H22FN3/c1-10(2)18-13(16)17-9-14(3,4)11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3,(H3,16,17,18)
InChIKeyNHGIPZHRFSAUPE-UHFFFAOYSA-N
XLogP2.42
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.42
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

2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
CID 62363532
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111095325
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111095362
2-[2-(4-ethylphenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111859843
1-[2-(2-fluorophenyl)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
CID 111126131
2-[2-methyl-2-(2-methylphenyl)propyl]-1-(2-methylpropyl)guanidine
CID 111087970
2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine
CID 62364214
1-ethyl-2-[2-(2-fluorophenyl)-2-methylpropyl]-3-propylguanidine
CID 111227779
2-(2,2-dimethyl-5-phenylpentyl)-1-propan-2-ylguanidine
CID 111813102
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine
CID 111816564
2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine
CID 111752698
1-butan-2-yl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine;hydroiodide
CID 111101396

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine (CID 111095348) is 2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC(C)(C)c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine?
The InChIKey is NHGIPZHRFSAUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-10(2)18-13(16)17-9-14(3,4)11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3,(H3,16,17,18).
What are the key properties of 2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine?
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine has a molecular weight of 251.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 111095348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).