1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide

C20H26IN3O — CID 119163674

IUPAC1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide
SMILESCOCc1ccccc1N/C(N)=N/C1CC(C)(c2ccccc2)C1.I
InChIInChI=1S/C20H25N3O.HI/c1-20(16-9-4-3-5-10-16)12-17(13-20)22-19(21)23-18-11-7-6-8-15(18)14-24-2;/h3-11,17H,12-14H2,1-2H3,(H3,21,22,23);1H
InChIKeyUWAWZPKONJLHAB-UHFFFAOYSA-N
MW451.35 g/mol
LogP4.30
Rot. Bonds5

About 1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide

1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide (PubChem CID 119163674) has the molecular formula C20H26IN3O and a molecular weight of 451.35 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide
PubChem CID119163674
Molecular FormulaC20H26IN3O
Molecular Weight451.35 g/mol
Exact Mass451.11
IUPAC Name1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide
SMILESCOCc1ccccc1N/C(N)=N/C1CC(C)(c2ccccc2)C1.I
InChIInChI=1S/C20H25N3O.HI/c1-20(16-9-4-3-5-10-16)12-17(13-20)22-19(21)23-18-11-7-6-8-15(18)14-24-2;/h3-11,17H,12-14H2,1-2H3,(H3,21,22,23);1H
InChIKeyUWAWZPKONJLHAB-UHFFFAOYSA-N
XLogP4.30
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 54.30
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-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide
CID 119163664
1-[2-(methoxymethyl)phenyl]-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109394328
2-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-1-[2-(methoxymethyl)phenyl]guanidine;hydroiodide
CID 120671305
2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine
CID 62378566
2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1-[2-(methoxymethyl)phenyl]guanidine;hydroiodide
CID 120671359
2-(2-chloroprop-2-enyl)-1-[2-(methoxymethyl)phenyl]guanidine
CID 119163681
1-[2-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 119163641
1-[2-(methoxymethyl)phenyl]-2-[2-(oxan-4-yl)-1-phenylethyl]guanidine
CID 110027201
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-[2-(methoxymethyl)phenyl]guanidine
CID 122096811
1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 119163631
1-[2-(methoxymethyl)phenyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 99851999
1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119163637

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide (CID 119163674) is 1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide is COCc1ccccc1N/C(N)=N/C1CC(C)(c2ccccc2)C1.I.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide?
The InChIKey is UWAWZPKONJLHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.HI/c1-20(16-9-4-3-5-10-16)12-17(13-20)22-19(21)23-18-11-7-6-8-15(18)14-24-2;/h3-11,17H,12-14H2,1-2H3,(H3,21,22,23);1H.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide?
1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide has a molecular weight of 451.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide is sourced from PubChem (CID 119163674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).