1-(5-tert-butyl-1H-indol-2-yl)ethanamine

C14H20N2 — CID 84622424

IUPAC1-(5-tert-butyl-1H-indol-2-yl)ethanamine
SMILESCC(N)c1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C14H20N2/c1-9(15)13-8-10-7-11(14(2,3)4)5-6-12(10)16-13/h5-9,16H,15H2,1-4H3
InChIKeyZAFMRFVOLODXSC-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.49
Rot. Bonds1

About 1-(5-tert-butyl-1H-indol-2-yl)ethanamine

1-(5-tert-butyl-1H-indol-2-yl)ethanamine (PubChem CID 84622424) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-indol-2-yl)ethanamine
PubChem CID84622424
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(5-tert-butyl-1H-indol-2-yl)ethanamine
SMILESCC(N)c1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C14H20N2/c1-9(15)13-8-10-7-11(14(2,3)4)5-6-12(10)16-13/h5-9,16H,15H2,1-4H3
InChIKeyZAFMRFVOLODXSC-UHFFFAOYSA-N
XLogP3.49
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-indol-2-yl)ethanamine?
The IUPAC name of 1-(5-tert-butyl-1H-indol-2-yl)ethanamine (CID 84622424) is 1-(5-tert-butyl-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-tert-butyl-1H-indol-2-yl)ethanamine?
The canonical SMILES for 1-(5-tert-butyl-1H-indol-2-yl)ethanamine is CC(N)c1cc2cc(C(C)(C)C)ccc2[nH]1.
What is the InChIKey of 1-(5-tert-butyl-1H-indol-2-yl)ethanamine?
The InChIKey is ZAFMRFVOLODXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9(15)13-8-10-7-11(14(2,3)4)5-6-12(10)16-13/h5-9,16H,15H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-1H-indol-2-yl)ethanamine?
1-(5-tert-butyl-1H-indol-2-yl)ethanamine has a molecular weight of 216.33 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 84622424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).