3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide

C15H23FIN3O — CID 119153567

IUPAC3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(/NC1CCC1)N(C)CCOc1ccccc1F.I
InChIInChI=1S/C15H22FN3O.HI/c1-17-15(18-12-6-5-7-12)19(2)10-11-20-14-9-4-3-8-13(14)16;/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,17,18);1H
InChIKeyHWAYDKJGOUAUBO-UHFFFAOYSA-N
MW407.27 g/mol
LogP2.88
Rot. Bonds5

About 3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide

3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide (PubChem CID 119153567) has the molecular formula C15H23FIN3O and a molecular weight of 407.27 g/mol. Its IUPAC name is 3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
PubChem CID119153567
Molecular FormulaC15H23FIN3O
Molecular Weight407.27 g/mol
Exact Mass407.09
IUPAC Name3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(/NC1CCC1)N(C)CCOc1ccccc1F.I
InChIInChI=1S/C15H22FN3O.HI/c1-17-15(18-12-6-5-7-12)19(2)10-11-20-14-9-4-3-8-13(14)16;/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,17,18);1H
InChIKeyHWAYDKJGOUAUBO-UHFFFAOYSA-N
XLogP2.88
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl-methylamino]propanamide
CID 55432130
3-[2-(2-butoxyethoxy)ethyl]-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine
CID 111499815
1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 111419415
N-[2-[[N-[2-(2-fluorophenoxy)ethyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111419461
1-[2-(2-fluorophenoxy)ethyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine
CID 111419341
1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethyl-3-[(4-methylsulfanyloxan-4-yl)methyl]guanidine;hydroiodide
CID 111520774
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920388
2-[2-(diethylsulfamoyl)ethyl]-3-ethyl-1-[2-(2-fluorophenoxy)ethyl]-1-methylguanidine;hydroiodide
CID 111982360
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 124811458
(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81129858
N-[2-[[ethylamino-[2-(2-fluorophenoxy)ethyl-methylamino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111419407
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067637

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide (CID 119153567) is 3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide is C/N=C(/NC1CCC1)N(C)CCOc1ccccc1F.I.
What is the InChIKey of 3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide?
The InChIKey is HWAYDKJGOUAUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O.HI/c1-17-15(18-12-6-5-7-12)19(2)10-11-20-14-9-4-3-8-13(14)16;/h3-4,8-9,12H,5-7,10-11H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide?
3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide has a molecular weight of 407.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[2-(2-fluorophenoxy)ethyl]-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 119153567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).