2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine

C11H16N2O — CID 59686728

IUPAC2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine
SMILESCOC1=CC2C(CCN)=CNC2C=C1
InChIInChI=1S/C11H16N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,10-11,13H,4-5,12H2,1H3
InChIKeyIFTKMYLZQBGWNM-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.91
Rot. Bonds3

About 2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine

2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine (PubChem CID 59686728) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine
PubChem CID59686728
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine
SMILESCOC1=CC2C(CCN)=CNC2C=C1
InChIInChI=1S/C11H16N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,10-11,13H,4-5,12H2,1H3
InChIKeyIFTKMYLZQBGWNM-UHFFFAOYSA-N
XLogP0.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine (CID 59686728) is 2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine is COC1=CC2C(CCN)=CNC2C=C1.
What is the InChIKey of 2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine?
The InChIKey is IFTKMYLZQBGWNM-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/h2-3,6-7,10-11,13H,4-5,12H2,1H3.
What are the key properties of 2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine?
2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine has a molecular weight of 192.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 59686728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).