2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride

C11H15ClN2O — CID 17086

IUPAC2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride
SMILESCOc1cccc2c(CC[NH3+])c[nH]c12.[Cl-]
InChIInChI=1S/C11H14N2O.ClH/c1-14-10-4-2-3-9-8(5-6-12)7-13-11(9)10;/h2-4,7,13H,5-6,12H2,1H3;1H
InChIKeySUJKAJKVFWJRPP-UHFFFAOYSA-N
MW226.71 g/mol
LogP-2.04
Rot. Bonds3

About 2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride

2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride (PubChem CID 17086) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride.

Molecular Properties

Compound Name2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride
PubChem CID17086
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride
SMILESCOc1cccc2c(CC[NH3+])c[nH]c12.[Cl-]
InChIInChI=1S/C11H14N2O.ClH/c1-14-10-4-2-3-9-8(5-6-12)7-13-11(9)10;/h2-4,7,13H,5-6,12H2,1H3;1H
InChIKeySUJKAJKVFWJRPP-UHFFFAOYSA-N
XLogP-2.04
TPSA52.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 5-2.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride?
The IUPAC name of 2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride (CID 17086) is 2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride.
What is the SMILES notation for 2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride?
The canonical SMILES for 2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride is COc1cccc2c(CC[NH3+])c[nH]c12.[Cl-].
What is the InChIKey of 2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride?
The InChIKey is SUJKAJKVFWJRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-14-10-4-2-3-9-8(5-6-12)7-13-11(9)10;/h2-4,7,13H,5-6,12H2,1H3;1H.
What are the key properties of 2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride?
2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride has a molecular weight of 226.71 g/mol, XLogP of -2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1H-indol-3-yl)ethylazanium chloride is sourced from PubChem (CID 17086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).