2-(1-methylindol-3-yl)ethanamine

C11H14N2 — CID 23492

IUPAC2-(1-methylindol-3-yl)ethanamine
SMILESCn1cc(CCN)c2ccccc21
InChIInChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3
InChIKeyCAAGZPJPCKMFBD-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.68
Rot. Bonds2

About 2-(1-methylindol-3-yl)ethanamine

2-(1-methylindol-3-yl)ethanamine (PubChem CID 23492) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)ethanamine
PubChem CID23492
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(1-methylindol-3-yl)ethanamine
SMILESCn1cc(CCN)c2ccccc21
InChIInChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3
InChIKeyCAAGZPJPCKMFBD-UHFFFAOYSA-N
XLogP1.68
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)ethanamine?
The IUPAC name of 2-(1-methylindol-3-yl)ethanamine (CID 23492) is 2-(1-methylindol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-methylindol-3-yl)ethanamine?
The canonical SMILES for 2-(1-methylindol-3-yl)ethanamine is Cn1cc(CCN)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)ethanamine?
The InChIKey is CAAGZPJPCKMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)ethanamine?
2-(1-methylindol-3-yl)ethanamine has a molecular weight of 174.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)ethanamine is sourced from PubChem (CID 23492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).