2-methylbenzenecarboximidamide;hydrochloride

C8H11ClN2 — CID 21413664

IUPAC2-methylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1C
InChIInChI=1S/C8H10N2.ClH/c1-6-4-2-3-5-7(6)8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKeyUSHZYUPZIKQYMI-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.70
Rot. Bonds1

About 2-methylbenzenecarboximidamide;hydrochloride

2-methylbenzenecarboximidamide;hydrochloride (PubChem CID 21413664) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-methylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-methylbenzenecarboximidamide;hydrochloride
PubChem CID21413664
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name2-methylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1C
InChIInChI=1S/C8H10N2.ClH/c1-6-4-2-3-5-7(6)8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKeyUSHZYUPZIKQYMI-UHFFFAOYSA-N
XLogP1.70
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.70
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'}

Analyze 2-methylbenzenecarboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-methylbenzenecarboximidamide;hydrochloride (CID 21413664) is 2-methylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-methylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-methylbenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1C.
What is the InChIKey of 2-methylbenzenecarboximidamide;hydrochloride?
The InChIKey is USHZYUPZIKQYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.ClH/c1-6-4-2-3-5-7(6)8(9)10;/h2-5H,1H3,(H3,9,10);1H.
What are the key properties of 2-methylbenzenecarboximidamide;hydrochloride?
2-methylbenzenecarboximidamide;hydrochloride has a molecular weight of 170.64 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 21413664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).