1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine

C10H14BrN3O — CID 62380389

IUPAC1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(Br)ccc1OC
InChIInChI=1S/C10H14BrN3O/c1-3-13-10(12)14-8-6-7(11)4-5-9(8)15-2/h4-6H,3H2,1-2H3,(H3,12,13,14)
InChIKeyPDLSTZKKGNIFNR-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.20
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine

1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine (PubChem CID 62380389) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine
PubChem CID62380389
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(Br)ccc1OC
InChIInChI=1S/C10H14BrN3O/c1-3-13-10(12)14-8-6-7(11)4-5-9(8)15-2/h4-6H,3H2,1-2H3,(H3,12,13,14)
InChIKeyPDLSTZKKGNIFNR-UHFFFAOYSA-N
XLogP2.20
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
CID 62381111
1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine
CID 62381438
2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
CID 79349776
3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide
CID 115180249
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
CID 62379243
1-(5-bromo-2-fluorophenyl)-2-propylguanidine
CID 62381112
3-(5-bromo-2-methoxyphenyl)-1,1-diethylurea
CID 60562444
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
2-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-ethylphenyl)guanidine
CID 111092792
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
2-[(5-bromo-2-methoxyphenyl)methyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111092798

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine (CID 62380389) is 1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine is CC/N=C(\N)Nc1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine?
The InChIKey is PDLSTZKKGNIFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-3-13-10(12)14-8-6-7(11)4-5-9(8)15-2/h4-6H,3H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine?
1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine has a molecular weight of 272.15 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine is sourced from PubChem (CID 62380389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).