1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide

C15H23FIN3O — CID 110990204

IUPAC1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCOc1cccc(F)c1)NC1CCCC1.I
InChIInChI=1S/C15H22FN3O.HI/c1-17-15(19-13-6-2-3-7-13)18-9-10-20-14-8-4-5-12(16)11-14;/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H2,17,18,19);1H
InChIKeyHRYJFSQTCNWDMP-UHFFFAOYSA-N
MW407.27 g/mol
LogP2.93
Rot. Bonds5

About 1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide

1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 110990204) has the molecular formula C15H23FIN3O and a molecular weight of 407.27 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide
PubChem CID110990204
Molecular FormulaC15H23FIN3O
Molecular Weight407.27 g/mol
Exact Mass407.09
IUPAC Name1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCOc1cccc(F)c1)NC1CCCC1.I
InChIInChI=1S/C15H22FN3O.HI/c1-17-15(19-13-6-2-3-7-13)18-9-10-20-14-8-4-5-12(16)11-14;/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H2,17,18,19);1H
InChIKeyHRYJFSQTCNWDMP-UHFFFAOYSA-N
XLogP2.93
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-(3-ethylsulfinylcyclohexyl)-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine
CID 109437045
1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 75532438
1-cyclopentyl-3-[2-(3-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111495739
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110958992
1-[2-(4-bromophenoxy)ethyl]-3-cyclopentyl-2-methylguanidine;hydroiodide
CID 110990870
1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110990672
1-(2-ethoxyethyl)-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine
CID 111894291
1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 110991331
N-[3-[2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]ethoxy]phenyl]acetamide
CID 110936954
1-cyclopentyl-3-[2-(2,6-dimethylphenoxy)ethyl]-2-methylguanidine
CID 110990673
1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 110992731
1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111335956

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide (CID 110990204) is 1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide is C/N=C(\NCCOc1cccc(F)c1)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is HRYJFSQTCNWDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O.HI/c1-17-15(19-13-6-2-3-7-13)18-9-10-20-14-8-4-5-12(16)11-14;/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H2,17,18,19);1H.
What are the key properties of 1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide?
1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 407.27 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110990204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).