1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine

C10H15BrN4 — CID 107581228

IUPAC1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine
SMILESCC/N=C(\NN)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C10H15BrN4/c1-3-13-10(15-12)14-9-5-7(2)4-8(11)6-9/h4-6H,3,12H2,1-2H3,(H2,13,14,15)
InChIKeyPTBNENYDJSKVED-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.01
Rot. Bonds2

About 1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine

1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine (PubChem CID 107581228) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine
PubChem CID107581228
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC Name1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine
SMILESCC/N=C(\NN)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C10H15BrN4/c1-3-13-10(15-12)14-9-5-7(2)4-8(11)6-9/h4-6H,3,12H2,1-2H3,(H2,13,14,15)
InChIKeyPTBNENYDJSKVED-UHFFFAOYSA-N
XLogP2.01
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.01
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

1-amino-3-(3-bromo-5-methylphenyl)-2-(3-methoxypropyl)guanidine
CID 107581236
N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 107577182
1-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-2-(2-methylpropyl)guanidine
CID 116515414
1-amino-2-ethyl-3-(4-propylphenyl)guanidine
CID 116513167
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine
CID 116511461
1-(3-bromo-5-chlorophenyl)-2-ethylguanidine
CID 130697862
1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine
CID 116511523
1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine
CID 104882726
N-(3-bromo-5-methylphenyl)-2-carbamothioyl-2-ethylbutanamide
CID 107583679
1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine
CID 107605052
1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine
CID 116511868

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine?
The IUPAC name of 1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine (CID 107581228) is 1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine.
What is the SMILES notation for 1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine?
The canonical SMILES for 1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine is CC/N=C(\NN)Nc1cc(C)cc(Br)c1.
What is the InChIKey of 1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine?
The InChIKey is PTBNENYDJSKVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4/c1-3-13-10(15-12)14-9-5-7(2)4-8(11)6-9/h4-6H,3,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine?
1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine has a molecular weight of 271.16 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine is sourced from PubChem (CID 107581228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).