1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine

C8H10BrClN4 — CID 116510991

IUPAC1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C8H10BrClN4/c1-12-8(14-11)13-7-3-2-5(10)4-6(7)9/h2-4H,11H2,1H3,(H2,12,13,14)
InChIKeyHASSCUGXPNDUTM-UHFFFAOYSA-N
MW277.55 g/mol
LogP1.96
Rot. Bonds1

About 1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine

1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine (PubChem CID 116510991) has the molecular formula C8H10BrClN4 and a molecular weight of 277.55 g/mol. Its IUPAC name is 1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine
PubChem CID116510991
Molecular FormulaC8H10BrClN4
Molecular Weight277.55 g/mol
Exact Mass275.98
IUPAC Name1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C8H10BrClN4/c1-12-8(14-11)13-7-3-2-5(10)4-6(7)9/h2-4H,11H2,1H3,(H2,12,13,14)
InChIKeyHASSCUGXPNDUTM-UHFFFAOYSA-N
XLogP1.96
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 51.96
H-Bond Donors ≤ 53
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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Related Compounds

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CID 81003362
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CID 81264003
1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine
CID 116510720
(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
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1-amino-2-butyl-3-(2,4-dibromophenyl)guanidine
CID 116514777
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
2-bromo-4-chloro-N-propan-2-ylaniline
CID 58692387
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CID 81264246

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine (CID 116510991) is 1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine is C/N=C(\NN)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine?
The InChIKey is HASSCUGXPNDUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN4/c1-12-8(14-11)13-7-3-2-5(10)4-6(7)9/h2-4H,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine?
1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine has a molecular weight of 277.55 g/mol, XLogP of 1.96, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-bromo-4-chlorophenyl)-2-methylguanidine is sourced from PubChem (CID 116510991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).