1-(4-bromo-2,5-dimethoxyphenyl)ethanamine

C10H14BrNO2 — CID 4530325

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(C(C)N)c(OC)cc1Br
InChIInChI=1S/C10H14BrNO2/c1-6(12)7-4-10(14-3)8(11)5-9(7)13-2/h4-6H,12H2,1-3H3
InChIKeyJKOMOTQHGDWZAQ-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.49
Rot. Bonds3

About 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine

1-(4-bromo-2,5-dimethoxyphenyl)ethanamine (PubChem CID 4530325) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)ethanamine
PubChem CID4530325
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(C(C)N)c(OC)cc1Br
InChIInChI=1S/C10H14BrNO2/c1-6(12)7-4-10(14-3)8(11)5-9(7)13-2/h4-6H,12H2,1-3H3
InChIKeyJKOMOTQHGDWZAQ-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine (CID 4530325) is 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine is COc1cc(C(C)N)c(OC)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine?
The InChIKey is JKOMOTQHGDWZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6(12)7-4-10(14-3)8(11)5-9(7)13-2/h4-6H,12H2,1-3H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine?
1-(4-bromo-2,5-dimethoxyphenyl)ethanamine has a molecular weight of 260.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 4530325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).