2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride

C11H15ClN2O — CID 2827487

IUPAC2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCOc1ccc2c(CCN)c[nH]c2c1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9;/h2-3,6-7,13H,4-5,12H2,1H3;1H
InChIKeyANTAOYZCCFNXOG-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.10
Rot. Bonds3

About 2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride

2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride (PubChem CID 2827487) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
PubChem CID2827487
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCOc1ccc2c(CCN)c[nH]c2c1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9;/h2-3,6-7,13H,4-5,12H2,1H3;1H
InChIKeyANTAOYZCCFNXOG-UHFFFAOYSA-N
XLogP2.10
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride (CID 2827487) is 2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride is COc1ccc2c(CCN)c[nH]c2c1.Cl.
What is the InChIKey of 2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride?
The InChIKey is ANTAOYZCCFNXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9;/h2-3,6-7,13H,4-5,12H2,1H3;1H.
What are the key properties of 2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride?
2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-indol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 2827487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).