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

C10H14BrNO2 — CID 820370

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(Br)c(CCN)cc1OC
InChIInChI=1S/C10H14BrNO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3-4,12H2,1-2H3
InChIKeyWGAFQMMKTNUYDH-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.97
Rot. Bonds4

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

2-(2-bromo-4,5-dimethoxyphenyl)ethanamine (PubChem CID 820370) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)ethanamine
PubChem CID820370
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)ethanamine
SMILESCOc1cc(Br)c(CCN)cc1OC
InChIInChI=1S/C10H14BrNO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3-4,12H2,1-2H3
InChIKeyWGAFQMMKTNUYDH-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)ethanamine (CID 820370) is 2-(2-bromo-4,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)ethanamine is COc1cc(Br)c(CCN)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)ethanamine?
The InChIKey is WGAFQMMKTNUYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)ethanamine?
2-(2-bromo-4,5-dimethoxyphenyl)ethanamine has a molecular weight of 260.13 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 820370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).