2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine

C15H23N3O2 — CID 111100224

IUPAC2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
SMILESCOc1cccc(CCN/C(N)=N/CC2CCC2)c1O
InChIInChI=1S/C15H23N3O2/c1-20-13-7-3-6-12(14(13)19)8-9-17-15(16)18-10-11-4-2-5-11/h3,6-7,11,19H,2,4-5,8-10H2,1H3,(H3,16,17,18)
InChIKeyIZRIQLWIWJDUTG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.65
Rot. Bonds6

About 2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine

2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine (PubChem CID 111100224) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
PubChem CID111100224
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
SMILESCOc1cccc(CCN/C(N)=N/CC2CCC2)c1O
InChIInChI=1S/C15H23N3O2/c1-20-13-7-3-6-12(14(13)19)8-9-17-15(16)18-10-11-4-2-5-11/h3,6-7,11,19H,2,4-5,8-10H2,1H3,(H3,16,17,18)
InChIKeyIZRIQLWIWJDUTG-UHFFFAOYSA-N
XLogP1.65
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111025158
2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031290
2-(3-ethoxypropyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine
CID 111100210
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111100195
1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111100212
2-[(2-hydroxy-3-methoxyphenyl)methyl]-1-(2-phenylethyl)guanidine
CID 111099940
methyl N-[2-(2-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 15659643
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111100207
1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 103646263
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111100183
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055724

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine (CID 111100224) is 2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine is COc1cccc(CCN/C(N)=N/CC2CCC2)c1O.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine?
The InChIKey is IZRIQLWIWJDUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-13-7-3-6-12(14(13)19)8-9-17-15(16)18-10-11-4-2-5-11/h3,6-7,11,19H,2,4-5,8-10H2,1H3,(H3,16,17,18).
What are the key properties of 2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine?
2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine has a molecular weight of 277.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[2-(2-hydroxy-3-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111100224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).