2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine

C13H16BrN3O — CID 105110600

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1ccnn1C
InChIInChI=1S/C13H16BrN3O/c1-17-12(5-6-16-17)11(15)8-9-7-10(14)3-4-13(9)18-2/h3-7,11H,8,15H2,1-2H3
InChIKeyOAQJFJDONSTQBT-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.43
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine

2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 105110600) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID105110600
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)c1ccnn1C
InChIInChI=1S/C13H16BrN3O/c1-17-12(5-6-16-17)11(15)8-9-7-10(14)3-4-13(9)18-2/h3-7,11H,8,15H2,1-2H3
InChIKeyOAQJFJDONSTQBT-UHFFFAOYSA-N
XLogP2.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554042
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-(5-bromo-2-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200515
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962245
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
2-(5-bromo-2-methoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 115816754
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747
2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105110402
1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63892579
5-[[(S)-(5-bromo-2-methoxyphenyl)methylsulfinyl]methyl]-1-methylpyrazole
CID 99588108

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine (CID 105110600) is 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine is COc1ccc(Br)cc1CC(N)c1ccnn1C.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is OAQJFJDONSTQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-17-12(5-6-16-17)11(15)8-9-7-10(14)3-4-13(9)18-2/h3-7,11H,8,15H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 310.20 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105110600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).