2-(6-methoxy-3-methylindol-1-yl)ethanamine

C12H16N2O — CID 82491960

IUPAC2-(6-methoxy-3-methylindol-1-yl)ethanamine
SMILESCOc1ccc2c(C)cn(CCN)c2c1
InChIInChI=1S/C12H16N2O/c1-9-8-14(6-5-13)12-7-10(15-2)3-4-11(9)12/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyZQWOTMODKYFOJS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.92
Rot. Bonds3

About 2-(6-methoxy-3-methylindol-1-yl)ethanamine

2-(6-methoxy-3-methylindol-1-yl)ethanamine (PubChem CID 82491960) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(6-methoxy-3-methylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-3-methylindol-1-yl)ethanamine
PubChem CID82491960
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(6-methoxy-3-methylindol-1-yl)ethanamine
SMILESCOc1ccc2c(C)cn(CCN)c2c1
InChIInChI=1S/C12H16N2O/c1-9-8-14(6-5-13)12-7-10(15-2)3-4-11(9)12/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyZQWOTMODKYFOJS-UHFFFAOYSA-N
XLogP1.92
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-methylindol-1-yl)ethanamine?
The IUPAC name of 2-(6-methoxy-3-methylindol-1-yl)ethanamine (CID 82491960) is 2-(6-methoxy-3-methylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-3-methylindol-1-yl)ethanamine?
The canonical SMILES for 2-(6-methoxy-3-methylindol-1-yl)ethanamine is COc1ccc2c(C)cn(CCN)c2c1.
What is the InChIKey of 2-(6-methoxy-3-methylindol-1-yl)ethanamine?
The InChIKey is ZQWOTMODKYFOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-8-14(6-5-13)12-7-10(15-2)3-4-11(9)12/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 2-(6-methoxy-3-methylindol-1-yl)ethanamine?
2-(6-methoxy-3-methylindol-1-yl)ethanamine has a molecular weight of 204.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-methylindol-1-yl)ethanamine is sourced from PubChem (CID 82491960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).