2-(2,6-dimethylphenyl)guanidine chloride

C9H13ClN3- — CID 20543534

IUPAC2-(2,6-dimethylphenyl)guanidine chloride
SMILESCc1cccc(C)c1N=C(N)N.[Cl-]
InChIInChI=1S/C9H13N3.ClH/c1-6-4-3-5-7(2)8(6)12-9(10)11;/h3-5H,1-2H3,(H4,10,11,12);1H/p-1
InChIKeyQYIVSQYNECONNC-UHFFFAOYSA-M
MW198.68 g/mol
LogP-1.79
Rot. Bonds1

About 2-(2,6-dimethylphenyl)guanidine chloride

2-(2,6-dimethylphenyl)guanidine chloride (PubChem CID 20543534) has the molecular formula C9H13ClN3- and a molecular weight of 198.68 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)guanidine chloride.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)guanidine chloride
PubChem CID20543534
Molecular FormulaC9H13ClN3-
Molecular Weight198.68 g/mol
Exact Mass198.08
IUPAC Name2-(2,6-dimethylphenyl)guanidine chloride
SMILESCc1cccc(C)c1N=C(N)N.[Cl-]
InChIInChI=1S/C9H13N3.ClH/c1-6-4-3-5-7(2)8(6)12-9(10)11;/h3-5H,1-2H3,(H4,10,11,12);1H/p-1
InChIKeyQYIVSQYNECONNC-UHFFFAOYSA-M
XLogP-1.79
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)guanidine chloride?
The IUPAC name of 2-(2,6-dimethylphenyl)guanidine chloride (CID 20543534) is 2-(2,6-dimethylphenyl)guanidine chloride.
What is the SMILES notation for 2-(2,6-dimethylphenyl)guanidine chloride?
The canonical SMILES for 2-(2,6-dimethylphenyl)guanidine chloride is Cc1cccc(C)c1N=C(N)N.[Cl-].
What is the InChIKey of 2-(2,6-dimethylphenyl)guanidine chloride?
The InChIKey is QYIVSQYNECONNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13N3.ClH/c1-6-4-3-5-7(2)8(6)12-9(10)11;/h3-5H,1-2H3,(H4,10,11,12);1H/p-1.
What are the key properties of 2-(2,6-dimethylphenyl)guanidine chloride?
2-(2,6-dimethylphenyl)guanidine chloride has a molecular weight of 198.68 g/mol, XLogP of -1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)guanidine chloride is sourced from PubChem (CID 20543534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).