3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride

C10H13ClN2O — CID 138113350

IUPAC3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride
SMILESCl.NCCc1c[nH]c2c(O)cccc12
InChIInChI=1S/C10H12N2O.ClH/c11-5-4-7-6-12-10-8(7)2-1-3-9(10)13;/h1-3,6,12-13H,4-5,11H2;1H
InChIKeyOOCUBNPKLRQADY-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.80
Rot. Bonds2

About 3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride

3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride (PubChem CID 138113350) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride
PubChem CID138113350
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride
SMILESCl.NCCc1c[nH]c2c(O)cccc12
InChIInChI=1S/C10H12N2O.ClH/c11-5-4-7-6-12-10-8(7)2-1-3-9(10)13;/h1-3,6,12-13H,4-5,11H2;1H
InChIKeyOOCUBNPKLRQADY-UHFFFAOYSA-N
XLogP1.80
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride (CID 138113350) is 3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride is Cl.NCCc1c[nH]c2c(O)cccc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride?
The InChIKey is OOCUBNPKLRQADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.ClH/c11-5-4-7-6-12-10-8(7)2-1-3-9(10)13;/h1-3,6,12-13H,4-5,11H2;1H.
What are the key properties of 3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride?
3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indol-7-ol;hydrochloride is sourced from PubChem (CID 138113350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).