Etryptamine

C₁₂H₁₆N₂ — CID 8367

About Etryptamine

Etryptamine (PubChem CID 8367) has the molecular formula C₁₂H₁₆N₂ and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)butan-2-amine.

Molecular Properties

• Compound Name: Etryptamine
• PubChem CID: 8367
• Molecular Formula: C₁₂H₁₆N₂
• Molecular Weight: 188.27 g/mol
• Exact Mass: 188.13
• IUPAC Name: 1-(1H-indol-3-yl)butan-2-amine
• SMILES: CCC(N)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3
• InChIKey: ZXUMUPVQYAFTLF-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 41.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.27
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Etryptamine?

The IUPAC name of Etryptamine (CID 8367) is 1-(1H-indol-3-yl)butan-2-amine.

What is the SMILES notation for Etryptamine?

The canonical SMILES for Etryptamine is CCC(N)Cc1c[nH]c2ccccc12.

What is the InChIKey of Etryptamine?

The InChIKey is ZXUMUPVQYAFTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3.

What are the key properties of Etryptamine?

Etryptamine has a molecular weight of 188.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Etryptamine is sourced from PubChem (CID 8367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8367 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1117 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.