1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide

C19H23ClIN3O — CID 120663283

IUPAC1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
SMILESCOc1ccccc1C/N=C(\N)NC1CC(c2ccc(Cl)cc2)C1.I
InChIInChI=1S/C19H22ClN3O.HI/c1-24-18-5-3-2-4-14(18)12-22-19(21)23-17-10-15(11-17)13-6-8-16(20)9-7-13;/h2-9,15,17H,10-12H2,1H3,(H3,21,22,23);1H
InChIKeyDEOTXZHRJICZIY-UHFFFAOYSA-N
MW471.77 g/mol
LogP4.32
Rot. Bonds5

About 1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide

1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide (PubChem CID 120663283) has the molecular formula C19H23ClIN3O and a molecular weight of 471.77 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
PubChem CID120663283
Molecular FormulaC19H23ClIN3O
Molecular Weight471.77 g/mol
Exact Mass471.06
IUPAC Name1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
SMILESCOc1ccccc1C/N=C(\N)NC1CC(c2ccc(Cl)cc2)C1.I
InChIInChI=1S/C19H22ClN3O.HI/c1-24-18-5-3-2-4-14(18)12-22-19(21)23-17-10-15(11-17)13-6-8-16(20)9-7-13;/h2-9,15,17H,10-12H2,1H3,(H3,21,22,23);1H
InChIKeyDEOTXZHRJICZIY-UHFFFAOYSA-N
XLogP4.32
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.77
LogP ≤ 54.32
H-Bond Donors ≤ 52
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

1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide
CID 154838813
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 120671482
1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120671597
2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046155
2-[(4-chloro-2-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111806809
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
CID 110927667
2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine
CID 120762813
2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
CID 67531074
1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
CID 122082803
2-(4-chlorophenyl)sulfanylethyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate
CID 8775000
1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111039863

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide (CID 120663283) is 1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide is COc1ccccc1C/N=C(\N)NC1CC(c2ccc(Cl)cc2)C1.I.
What is the InChIKey of 1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
The InChIKey is DEOTXZHRJICZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O.HI/c1-24-18-5-3-2-4-14(18)12-22-19(21)23-17-10-15(11-17)13-6-8-16(20)9-7-13;/h2-9,15,17H,10-12H2,1H3,(H3,21,22,23);1H.
What are the key properties of 1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide has a molecular weight of 471.77 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 120663283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).