2-(2,3,7-trimethylindol-1-yl)ethanamine

C13H18N2 — CID 82491683

IUPAC2-(2,3,7-trimethylindol-1-yl)ethanamine
SMILESCc1c(C)n(CCN)c2c(C)cccc12
InChIInChI=1S/C13H18N2/c1-9-5-4-6-12-10(2)11(3)15(8-7-14)13(9)12/h4-6H,7-8,14H2,1-3H3
InChIKeyGLOOXMNZEQHTIL-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.53
Rot. Bonds2

About 2-(2,3,7-trimethylindol-1-yl)ethanamine

2-(2,3,7-trimethylindol-1-yl)ethanamine (PubChem CID 82491683) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(2,3,7-trimethylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3,7-trimethylindol-1-yl)ethanamine
PubChem CID82491683
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(2,3,7-trimethylindol-1-yl)ethanamine
SMILESCc1c(C)n(CCN)c2c(C)cccc12
InChIInChI=1S/C13H18N2/c1-9-5-4-6-12-10(2)11(3)15(8-7-14)13(9)12/h4-6H,7-8,14H2,1-3H3
InChIKeyGLOOXMNZEQHTIL-UHFFFAOYSA-N
XLogP2.53
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
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-(2,3,7-trimethylindol-1-yl)ethanamine?
The IUPAC name of 2-(2,3,7-trimethylindol-1-yl)ethanamine (CID 82491683) is 2-(2,3,7-trimethylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3,7-trimethylindol-1-yl)ethanamine?
The canonical SMILES for 2-(2,3,7-trimethylindol-1-yl)ethanamine is Cc1c(C)n(CCN)c2c(C)cccc12.
What is the InChIKey of 2-(2,3,7-trimethylindol-1-yl)ethanamine?
The InChIKey is GLOOXMNZEQHTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-5-4-6-12-10(2)11(3)15(8-7-14)13(9)12/h4-6H,7-8,14H2,1-3H3.
What are the key properties of 2-(2,3,7-trimethylindol-1-yl)ethanamine?
2-(2,3,7-trimethylindol-1-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,7-trimethylindol-1-yl)ethanamine is sourced from PubChem (CID 82491683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).