2-(3H-indol-3-yl)ethanamine

C10H12N2 — CID 12978088

IUPAC2-(3H-indol-3-yl)ethanamine
SMILESNCCC1C=Nc2ccccc21
InChIInChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7-8H,5-6,11H2
InChIKeyGNGZFLIWRWXIRK-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.83
Rot. Bonds2

About 2-(3H-indol-3-yl)ethanamine

2-(3H-indol-3-yl)ethanamine (PubChem CID 12978088) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(3H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3H-indol-3-yl)ethanamine
PubChem CID12978088
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(3H-indol-3-yl)ethanamine
SMILESNCCC1C=Nc2ccccc21
InChIInChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7-8H,5-6,11H2
InChIKeyGNGZFLIWRWXIRK-UHFFFAOYSA-N
XLogP1.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-indol-3-yl)ethanamine?
The IUPAC name of 2-(3H-indol-3-yl)ethanamine (CID 12978088) is 2-(3H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(3H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(3H-indol-3-yl)ethanamine is NCCC1C=Nc2ccccc21.
What is the InChIKey of 2-(3H-indol-3-yl)ethanamine?
The InChIKey is GNGZFLIWRWXIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7-8H,5-6,11H2.
What are the key properties of 2-(3H-indol-3-yl)ethanamine?
2-(3H-indol-3-yl)ethanamine has a molecular weight of 160.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-indol-3-yl)ethanamine is sourced from PubChem (CID 12978088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).