1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine

C12H17N3O2 — CID 111335932

IUPAC1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine
SMILESCOc1ccc(O)c(C/N=C(\N)NC2CC2)c1
InChIInChI=1S/C12H17N3O2/c1-17-10-4-5-11(16)8(6-10)7-14-12(13)15-9-2-3-9/h4-6,9,16H,2-3,7H2,1H3,(H3,13,14,15)
InChIKeyUZGRBKBIGIDWBD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.97
Rot. Bonds4

About 1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine

1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine (PubChem CID 111335932) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine
PubChem CID111335932
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine
SMILESCOc1ccc(O)c(C/N=C(\N)NC2CC2)c1
InChIInChI=1S/C12H17N3O2/c1-17-10-4-5-11(16)8(6-10)7-14-12(13)15-9-2-3-9/h4-6,9,16H,2-3,7H2,1H3,(H3,13,14,15)
InChIKeyUZGRBKBIGIDWBD-UHFFFAOYSA-N
XLogP0.97
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111813379
1-cyclopentyl-3-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111790874
2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111335917
1-(3,5-dimethylphenyl)-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111813357
1-(3-ethylphenyl)-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111813301
1-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 75418892
1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
CID 122082803
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111813337
2-[(4-chloro-2-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111806809
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine
CID 111792272

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine (CID 111335932) is 1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine is COc1ccc(O)c(C/N=C(\N)NC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine?
The InChIKey is UZGRBKBIGIDWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-10-4-5-11(16)8(6-10)7-14-12(13)15-9-2-3-9/h4-6,9,16H,2-3,7H2,1H3,(H3,13,14,15).
What are the key properties of 1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine?
1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine has a molecular weight of 235.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111335932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).