2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine

C14H20FN3 — CID 111816564

IUPAC2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC1(c2ccccc2F)CC1
InChIInChI=1S/C14H20FN3/c1-10(2)18-13(16)17-9-14(7-8-14)11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3,(H3,16,17,18)
InChIKeySHDHEDFZPUQTNP-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.17
Rot. Bonds4

About 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine

2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine (PubChem CID 111816564) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine
PubChem CID111816564
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC1(c2ccccc2F)CC1
InChIInChI=1S/C14H20FN3/c1-10(2)18-13(16)17-9-14(7-8-14)11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3,(H3,16,17,18)
InChIKeySHDHEDFZPUQTNP-UHFFFAOYSA-N
XLogP2.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.17
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-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide
CID 111816613
1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111816619
2-[(4-phenyloxan-4-yl)methyl]-1-propan-2-ylguanidine
CID 111067990
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111816568
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111098220
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111794246
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111816574
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111435820
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111816573
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111095348
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(3-propan-2-yloxypropyl)guanidine
CID 111794559
2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine
CID 62364214

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine (CID 111816564) is 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC1(c2ccccc2F)CC1.
What is the InChIKey of 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine?
The InChIKey is SHDHEDFZPUQTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-10(2)18-13(16)17-9-14(7-8-14)11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine?
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine has a molecular weight of 249.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 111816564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).