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

C12H18FN3 — CID 62364214

IUPAC2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/C(C)c1ccccc1F
InChIInChI=1S/C12H18FN3/c1-8(2)15-12(14)16-9(3)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H3,14,15,16)
InChIKeyCEYUKGJTKORNLW-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.20
Rot. Bonds3

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

2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine (PubChem CID 62364214) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine
PubChem CID62364214
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/C(C)c1ccccc1F
InChIInChI=1S/C12H18FN3/c1-8(2)15-12(14)16-9(3)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H3,14,15,16)
InChIKeyCEYUKGJTKORNLW-UHFFFAOYSA-N
XLogP2.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.20
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

N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide
CID 63176743
2-[2-(2-fluorophenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111095348
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propan-2-ylguanidine
CID 111816564
1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine
CID 62362636
2-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-propan-2-ylguanidine
CID 62361369
2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine
CID 111752698
2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602
2-[3-(2-fluoro-N-methylanilino)propyl]-1-propan-2-ylguanidine;hydroiodide
CID 111077598
1-fluoro-2-(1-isocyanatoethyl)benzene
CID 63109861
1-amino-3-[1-(2-fluorophenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 116513970
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine (CID 62364214) is 2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/C(C)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine?
The InChIKey is CEYUKGJTKORNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-8(2)15-12(14)16-9(3)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H3,14,15,16).
What are the key properties of 2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine?
2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine has a molecular weight of 223.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 62364214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).