1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine

C13H18FN3 — CID 86777752

IUPAC1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C13H18FN3/c1-15-12(16-2)17-9-13(7-8-13)10-5-3-4-6-11(10)14/h3-6H,7-9H2,1-2H3,(H2,15,16,17)
InChIKeyHFTUGZYHRYTBBL-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.65
Rot. Bonds3

About 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine

1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine (PubChem CID 86777752) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine
PubChem CID86777752
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C13H18FN3/c1-15-12(16-2)17-9-13(7-8-13)10-5-3-4-6-11(10)14/h3-6H,7-9H2,1-2H3,(H2,15,16,17)
InChIKeyHFTUGZYHRYTBBL-UHFFFAOYSA-N
XLogP1.65
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.65
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-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111796334
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111987512
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111793112
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111796208
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide
CID 111791771
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56806394
2-amino-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 110480076
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111265852
1-[1-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 62595690
3-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497350
4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid
CID 110481809
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266685

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine (CID 86777752) is 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCC1(c2ccccc2F)CC1.
What is the InChIKey of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine?
The InChIKey is HFTUGZYHRYTBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-15-12(16-2)17-9-13(7-8-13)10-5-3-4-6-11(10)14/h3-6H,7-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine?
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine has a molecular weight of 235.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 86777752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).