N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride

C8H11BrClN3 — CID 68638952

IUPACN-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(/c1ccc(Br)cc1)N(C)N
InChIInChI=1S/C8H10BrN3.ClH/c1-12(11)8(10)6-2-4-7(9)5-3-6;/h2-5,10H,11H2,1H3;1H/b10-8-;
InChIKeyJENVCFLAPKGGRL-DQMXGCRQSA-N
MW264.55 g/mol
LogP2.00
Rot. Bonds1

About N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride

N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride (PubChem CID 68638952) has the molecular formula C8H11BrClN3 and a molecular weight of 264.55 g/mol. Its IUPAC name is N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride
PubChem CID68638952
Molecular FormulaC8H11BrClN3
Molecular Weight264.55 g/mol
Exact Mass262.98
IUPAC NameN-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(/c1ccc(Br)cc1)N(C)N
InChIInChI=1S/C8H10BrN3.ClH/c1-12(11)8(10)6-2-4-7(9)5-3-6;/h2-5,10H,11H2,1H3;1H/b10-8-;
InChIKeyJENVCFLAPKGGRL-DQMXGCRQSA-N
XLogP2.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride?
The IUPAC name of N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride (CID 68638952) is N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(/c1ccc(Br)cc1)N(C)N.
What is the InChIKey of N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride?
The InChIKey is JENVCFLAPKGGRL-DQMXGCRQSA-N. The full InChI is InChI=1S/C8H10BrN3.ClH/c1-12(11)8(10)6-2-4-7(9)5-3-6;/h2-5,10H,11H2,1H3;1H/b10-8-;.
What are the key properties of N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride?
N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride has a molecular weight of 264.55 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 68638952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).