2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide

C14H21FIN3 — CID 111816613

IUPAC2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC1(c2ccccc2F)CC1.I
InChIInChI=1S/C14H20FN3.HI/c1-2-9-17-13(16)18-10-14(7-8-14)11-5-3-4-6-12(11)15;/h3-6H,2,7-10H2,1H3,(H3,16,17,18);1H
InChIKeyYTLMRZSCELELRQ-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.79
Rot. Bonds5

About 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide

2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide (PubChem CID 111816613) has the molecular formula C14H21FIN3 and a molecular weight of 377.25 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide
PubChem CID111816613
Molecular FormulaC14H21FIN3
Molecular Weight377.25 g/mol
Exact Mass377.08
IUPAC Name2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC1(c2ccccc2F)CC1.I
InChIInChI=1S/C14H20FN3.HI/c1-2-9-17-13(16)18-10-14(7-8-14)11-5-3-4-6-12(11)15;/h3-6H,2,7-10H2,1H3,(H3,16,17,18);1H
InChIKeyYTLMRZSCELELRQ-UHFFFAOYSA-N
XLogP2.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.79
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine
CID 111816564
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111816573
1-butyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine
CID 111098373
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111816574
1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111816619
1-butyl-2-[[4-(2-methylphenyl)oxan-4-yl]methyl]guanidine
CID 111081007
N'-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111435820
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111794246
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(3-propan-2-yloxypropyl)guanidine
CID 111794559
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979201
1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111640337
1-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109404012

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide (CID 111816613) is 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/CC1(c2ccccc2F)CC1.I.
What is the InChIKey of 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide?
The InChIKey is YTLMRZSCELELRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3.HI/c1-2-9-17-13(16)18-10-14(7-8-14)11-5-3-4-6-12(11)15;/h3-6H,2,7-10H2,1H3,(H3,16,17,18);1H.
What are the key properties of 2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide?
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide has a molecular weight of 377.25 g/mol, XLogP of 2.79, 5 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-propylguanidine;hydroiodide is sourced from PubChem (CID 111816613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).