2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine

C11H16N2O — CID 148794896

IUPAC2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine
SMILESCOC1C=c2c(CCN)c[nH]c2=CC1
InChIInChI=1S/C11H16N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h3,6-7,9,13H,2,4-5,12H2,1H3
InChIKeyQXUUWUOQSURCKU-UHFFFAOYSA-N
MW192.26 g/mol
LogP-0.50
Rot. Bonds3

About 2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine

2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine (PubChem CID 148794896) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine
PubChem CID148794896
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine
SMILESCOC1C=c2c(CCN)c[nH]c2=CC1
InChIInChI=1S/C11H16N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h3,6-7,9,13H,2,4-5,12H2,1H3
InChIKeyQXUUWUOQSURCKU-UHFFFAOYSA-N
XLogP-0.50
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine (CID 148794896) is 2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine is COC1C=c2c(CCN)c[nH]c2=CC1.
What is the InChIKey of 2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine?
The InChIKey is QXUUWUOQSURCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h3,6-7,9,13H,2,4-5,12H2,1H3.
What are the key properties of 2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine?
2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine has a molecular weight of 192.26 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-5,6-dihydro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 148794896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).