2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

C19H24IN3O2 — CID 111816431

IUPAC2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/Cc1ccccc1OC1CCC1.I
InChIInChI=1S/C19H23N3O2.HI/c1-23-18-12-5-3-10-16(18)22-19(20)21-13-14-7-2-4-11-17(14)24-15-8-6-9-15;/h2-5,7,10-12,15H,6,8-9,13H2,1H3,(H3,20,21,22);1H
InChIKeyQFYFZROAWGYEGA-UHFFFAOYSA-N
MW453.32 g/mol
LogP4.17
Rot. Bonds6

About 2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111816431) has the molecular formula C19H24IN3O2 and a molecular weight of 453.32 g/mol. Its IUPAC name is 2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
PubChem CID111816431
Molecular FormulaC19H24IN3O2
Molecular Weight453.32 g/mol
Exact Mass453.09
IUPAC Name2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/Cc1ccccc1OC1CCC1.I
InChIInChI=1S/C19H23N3O2.HI/c1-23-18-12-5-3-10-16(18)22-19(20)21-13-14-7-2-4-11-17(14)24-15-8-6-9-15;/h2-5,7,10-12,15H,6,8-9,13H2,1H3,(H3,20,21,22);1H
InChIKeyQFYFZROAWGYEGA-UHFFFAOYSA-N
XLogP4.17
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2-cyclobutyloxyphenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111816435
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111049997
2-[(2-cyclobutyloxyphenyl)methyl]guanidine;hydroiodide
CID 111428507
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036259
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111812929
3-(cyclobutylmethoxy)-4-[[N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]benzamide
CID 10362488
1-(2-methoxyphenyl)-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111061867
2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111811390
1-[(2-cyclopentyloxyphenyl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111049398
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020
2-[(2-cyclobutyloxyphenyl)methyl]-1,1-diethylguanidine
CID 111816448

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (CID 111816431) is 2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is COc1ccccc1N/C(N)=N/Cc1ccccc1OC1CCC1.I.
What is the InChIKey of 2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is QFYFZROAWGYEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.HI/c1-23-18-12-5-3-10-16(18)22-19(20)21-13-14-7-2-4-11-17(14)24-15-8-6-9-15;/h2-5,7,10-12,15H,6,8-9,13H2,1H3,(H3,20,21,22);1H.
What are the key properties of 2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 453.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111816431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).