2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine

C9H13N3O — CID 76944382

IUPAC2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine
SMILESCc1ccccc1N(C)C(N)=NO
InChIInChI=1S/C9H13N3O/c1-7-5-3-4-6-8(7)12(2)9(10)11-13/h3-6,13H,1-2H3,(H2,10,11)
InChIKeyCTEMBXGDMZFEGO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.14
Rot. Bonds1

About 2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine

2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine (PubChem CID 76944382) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine.

Molecular Properties

Compound Name2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine
PubChem CID76944382
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine
SMILESCc1ccccc1N(C)C(N)=NO
InChIInChI=1S/C9H13N3O/c1-7-5-3-4-6-8(7)12(2)9(10)11-13/h3-6,13H,1-2H3,(H2,10,11)
InChIKeyCTEMBXGDMZFEGO-UHFFFAOYSA-N
XLogP1.14
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.14
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Di-o-tolylguanidine
CID 7333
Imidazolidine, 2-(2-methylphenylimino)-
CID 142067
1,4-Dihydro-quinazolin-2-ylamine monohydrobromide
CID 45263885
2,3-Dihydro-indole-1-carboxamidine
CID 12253764
Guanidine, 1-methyl-1-phenyl-, hydrochloride
CID 9455
4-Propyl-1,4-dihydroquinazolin-2-amine
CID 44455983
4-Ethyl-1,4-dihydroquinazolin-2-amine
CID 44455986
N,N'-di-(m-ethylphenyl)-N-methylguanidine
CID 9921810
N''-Cyclohexyl-N-(2-methylphenyl)guanidine
CID 14771694
1,1-Di-o-tolylguanidine
CID 18995341
N-(4-butyl-2-methylphenyl)-N'-hydroxy-N-methylmethanimidamide
CID 44332476
Urea, 1-ethyl-1-(o-tolyl)-
CID 88670

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine?
The IUPAC name of 2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine (CID 76944382) is 2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine.
What is the SMILES notation for 2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine?
The canonical SMILES for 2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine is Cc1ccccc1N(C)C(N)=NO.
What is the InChIKey of 2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine?
The InChIKey is CTEMBXGDMZFEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-5-3-4-6-8(7)12(2)9(10)11-13/h3-6,13H,1-2H3,(H2,10,11).
What are the key properties of 2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine?
2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine has a molecular weight of 179.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-1-(2-methylphenyl)guanidine is sourced from PubChem (CID 76944382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).