1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine

C14H18FN3 — CID 122098698

IUPAC1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine
SMILESCN(/C(N)=N/[C@@H]1C[C@H]1c1ccccc1F)C1CC1
InChIInChI=1S/C14H18FN3/c1-18(9-6-7-9)14(16)17-13-8-11(13)10-4-2-3-5-12(10)15/h2-5,9,11,13H,6-8H2,1H3,(H2,16,17)/t11-,13+/m0/s1
InChIKeyKASASRGQAXPNSV-WCQYABFASA-N
MW247.32 g/mol
LogP2.09
Rot. Bonds3

About 1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine

1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine (PubChem CID 122098698) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine
PubChem CID122098698
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine
SMILESCN(/C(N)=N/[C@@H]1C[C@H]1c1ccccc1F)C1CC1
InChIInChI=1S/C14H18FN3/c1-18(9-6-7-9)14(16)17-13-8-11(13)10-4-2-3-5-12(10)15/h2-5,9,11,13H,6-8H2,1H3,(H2,16,17)/t11-,13+/m0/s1
InChIKeyKASASRGQAXPNSV-WCQYABFASA-N
XLogP2.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
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-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine
CID 120671550
2-[2-(4-bromophenyl)cyclopropyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030869
2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide
CID 119147957
1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine
CID 120679694
1-(3,5-dimethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111101022
N'-[2-(2-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide
CID 111101017
N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide
CID 111101079
1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine
CID 111101053
4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide
CID 111101089
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111101086
1,2-dicyclopropyl-1-methylguanidine
CID 62359014
2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine
CID 111815364

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine (CID 122098698) is 1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine is CN(/C(N)=N/[C@@H]1C[C@H]1c1ccccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine?
The InChIKey is KASASRGQAXPNSV-WCQYABFASA-N. The full InChI is InChI=1S/C14H18FN3/c1-18(9-6-7-9)14(16)17-13-8-11(13)10-4-2-3-5-12(10)15/h2-5,9,11,13H,6-8H2,1H3,(H2,16,17)/t11-,13+/m0/s1.
What are the key properties of 1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine?
1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine has a molecular weight of 247.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine is sourced from PubChem (CID 122098698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).