2-(3,4-diethoxyphenyl)ethanamine

C12H19NO2 — CID 840694

IUPAC2-(3,4-diethoxyphenyl)ethanamine
SMILESCCOc1ccc(CCN)cc1OCC
InChIInChI=1S/C12H19NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyYOUNXJAJHCCMNK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.99
Rot. Bonds6

About 2-(3,4-diethoxyphenyl)ethanamine

2-(3,4-diethoxyphenyl)ethanamine (PubChem CID 840694) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)ethanamine
PubChem CID840694
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(3,4-diethoxyphenyl)ethanamine
SMILESCCOc1ccc(CCN)cc1OCC
InChIInChI=1S/C12H19NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyYOUNXJAJHCCMNK-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)ethanamine?
The IUPAC name of 2-(3,4-diethoxyphenyl)ethanamine (CID 840694) is 2-(3,4-diethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,4-diethoxyphenyl)ethanamine is CCOc1ccc(CCN)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)ethanamine?
The InChIKey is YOUNXJAJHCCMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7-8,13H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)ethanamine?
2-(3,4-diethoxyphenyl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)ethanamine is sourced from PubChem (CID 840694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).