2-(5-ethoxy-1H-indol-2-yl)ethanamine

C12H16N2O — CID 83859527

IUPAC2-(5-ethoxy-1H-indol-2-yl)ethanamine
SMILESCCOc1ccc2[nH]c(CCN)cc2c1
InChIInChI=1S/C12H16N2O/c1-2-15-11-3-4-12-9(8-11)7-10(14-12)5-6-13/h3-4,7-8,14H,2,5-6,13H2,1H3
InChIKeyMSEJQSCCVWUZHD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.07
Rot. Bonds4

About 2-(5-ethoxy-1H-indol-2-yl)ethanamine

2-(5-ethoxy-1H-indol-2-yl)ethanamine (PubChem CID 83859527) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(5-ethoxy-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-1H-indol-2-yl)ethanamine
PubChem CID83859527
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(5-ethoxy-1H-indol-2-yl)ethanamine
SMILESCCOc1ccc2[nH]c(CCN)cc2c1
InChIInChI=1S/C12H16N2O/c1-2-15-11-3-4-12-9(8-11)7-10(14-12)5-6-13/h3-4,7-8,14H,2,5-6,13H2,1H3
InChIKeyMSEJQSCCVWUZHD-UHFFFAOYSA-N
XLogP2.07
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1H-indol-2-yl)ethanamine?
The IUPAC name of 2-(5-ethoxy-1H-indol-2-yl)ethanamine (CID 83859527) is 2-(5-ethoxy-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-ethoxy-1H-indol-2-yl)ethanamine?
The canonical SMILES for 2-(5-ethoxy-1H-indol-2-yl)ethanamine is CCOc1ccc2[nH]c(CCN)cc2c1.
What is the InChIKey of 2-(5-ethoxy-1H-indol-2-yl)ethanamine?
The InChIKey is MSEJQSCCVWUZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-15-11-3-4-12-9(8-11)7-10(14-12)5-6-13/h3-4,7-8,14H,2,5-6,13H2,1H3.
What are the key properties of 2-(5-ethoxy-1H-indol-2-yl)ethanamine?
2-(5-ethoxy-1H-indol-2-yl)ethanamine has a molecular weight of 204.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 83859527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).