2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine

C15H15N3 — CID 2771640

IUPAC2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine
SMILESNCCc1c(-c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C15H15N3/c16-9-8-12-11-5-1-2-6-13(11)18-15(12)14-7-3-4-10-17-14/h1-7,10,18H,8-9,16H2
InChIKeyGEZBZIWBDYGEDE-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.73
Rot. Bonds3

About 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine

2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine (PubChem CID 2771640) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine
PubChem CID2771640
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine
SMILESNCCc1c(-c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C15H15N3/c16-9-8-12-11-5-1-2-6-13(11)18-15(12)14-7-3-4-10-17-14/h1-7,10,18H,8-9,16H2
InChIKeyGEZBZIWBDYGEDE-UHFFFAOYSA-N
XLogP2.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine (CID 2771640) is 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine is NCCc1c(-c2ccccn2)[nH]c2ccccc12.
What is the InChIKey of 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine?
The InChIKey is GEZBZIWBDYGEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-9-8-12-11-5-1-2-6-13(11)18-15(12)14-7-3-4-10-17-14/h1-7,10,18H,8-9,16H2.
What are the key properties of 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine?
2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine has a molecular weight of 237.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 2771640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).