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

C12H19NO2 — CID 24729233

IUPAC2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine
SMILESCCc1cc(OC)c(CCN)cc1OC
InChIInChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3
InChIKeyVDRGNAMREYBIHA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds5

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

2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine (PubChem CID 24729233) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine
PubChem CID24729233
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine
SMILESCCc1cc(OC)c(CCN)cc1OC
InChIInChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3
InChIKeyVDRGNAMREYBIHA-UHFFFAOYSA-N
XLogP1.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine (CID 24729233) is 2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine is CCc1cc(OC)c(CCN)cc1OC.
What is the InChIKey of 2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine?
The InChIKey is VDRGNAMREYBIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3.
What are the key properties of 2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine?
2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 24729233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).