2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine

C13H20N2 — CID 121353728

IUPAC2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine
SMILESCN1CC(C)(C)c2cc(CCN)ccc21
InChIInChI=1S/C13H20N2/c1-13(2)9-15(3)12-5-4-10(6-7-14)8-11(12)13/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyQSSXTOFCPSRIDT-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.92
Rot. Bonds2

About 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine

2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine (PubChem CID 121353728) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine
PubChem CID121353728
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine
SMILESCN1CC(C)(C)c2cc(CCN)ccc21
InChIInChI=1S/C13H20N2/c1-13(2)9-15(3)12-5-4-10(6-7-14)8-11(12)13/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyQSSXTOFCPSRIDT-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine?
The IUPAC name of 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine (CID 121353728) is 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine.
What is the SMILES notation for 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine?
The canonical SMILES for 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine is CN1CC(C)(C)c2cc(CCN)ccc21.
What is the InChIKey of 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine?
The InChIKey is QSSXTOFCPSRIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2)9-15(3)12-5-4-10(6-7-14)8-11(12)13/h4-5,8H,6-7,9,14H2,1-3H3.
What are the key properties of 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine?
2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3-trimethyl-2H-indol-5-yl)ethanamine is sourced from PubChem (CID 121353728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).