2-(1H-indol-4-yl)ethanamine

C10H12N2 — CID 13100901

IUPAC2-(1H-indol-4-yl)ethanamine
SMILESNCCc1cccc2[nH]ccc12
InChIInChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2
InChIKeyXBARKDQKGSJDLG-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.67
Rot. Bonds2

About 2-(1H-indol-4-yl)ethanamine

2-(1H-indol-4-yl)ethanamine (PubChem CID 13100901) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-4-yl)ethanamine
PubChem CID13100901
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(1H-indol-4-yl)ethanamine
SMILESNCCc1cccc2[nH]ccc12
InChIInChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2
InChIKeyXBARKDQKGSJDLG-UHFFFAOYSA-N
XLogP1.67
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yl)ethanamine?
The IUPAC name of 2-(1H-indol-4-yl)ethanamine (CID 13100901) is 2-(1H-indol-4-yl)ethanamine.
What is the SMILES notation for 2-(1H-indol-4-yl)ethanamine?
The canonical SMILES for 2-(1H-indol-4-yl)ethanamine is NCCc1cccc2[nH]ccc12.
What is the InChIKey of 2-(1H-indol-4-yl)ethanamine?
The InChIKey is XBARKDQKGSJDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2.
What are the key properties of 2-(1H-indol-4-yl)ethanamine?
2-(1H-indol-4-yl)ethanamine has a molecular weight of 160.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)ethanamine is sourced from PubChem (CID 13100901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).