2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide

C12H19FIN3 — CID 110912022

IUPAC2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CCc1ccc(F)cc1.I
InChIInChI=1S/C12H18FN3.HI/c1-9(2)16-12(14)15-8-7-10-3-5-11(13)6-4-10;/h3-6,9H,7-8H2,1-2H3,(H3,14,15,16);1H
InChIKeyZFBXIPSCSNAHLS-UHFFFAOYSA-N
MW351.21 g/mol
LogP2.30
Rot. Bonds4

About 2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide

2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 110912022) has the molecular formula C12H19FIN3 and a molecular weight of 351.21 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID110912022
Molecular FormulaC12H19FIN3
Molecular Weight351.21 g/mol
Exact Mass351.06
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CCc1ccc(F)cc1.I
InChIInChI=1S/C12H18FN3.HI/c1-9(2)16-12(14)15-8-7-10-3-5-11(13)6-4-10;/h3-6,9H,7-8H2,1-2H3,(H3,14,15,16);1H
InChIKeyZFBXIPSCSNAHLS-UHFFFAOYSA-N
XLogP2.30
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.30
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-[(4-fluorophenyl)methyl]-1-propan-2-ylguanidine
CID 62363934
1-propan-2-yl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine;hydroiodide
CID 110018357
2-[2-(4-fluorophenyl)ethyl]guanidine
CID 7176009
1-cyano-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 142011632
1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 110912189
2-[2-(2,4-difluorophenoxy)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111752212
2-[2-(3,4-diethoxyphenyl)ethyl]-1-propan-2-ylguanidine
CID 111026044
2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075242
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111123694
ethyl 4-[[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111025544
1,3-diethyl-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 110924914
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide (CID 110912022) is 2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)N/C(N)=N/CCc1ccc(F)cc1.I.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is ZFBXIPSCSNAHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3.HI/c1-9(2)16-12(14)15-8-7-10-3-5-11(13)6-4-10;/h3-6,9H,7-8H2,1-2H3,(H3,14,15,16);1H.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide?
2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 351.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 110912022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).