2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride

C11H16ClNO — CID 139026716

IUPAC2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride
SMILESCl.NCCC1(O)Cc2ccccc2C1
InChIInChI=1S/C11H15NO.ClH/c12-6-5-11(13)7-9-3-1-2-4-10(9)8-11;/h1-4,13H,5-8,12H2;1H
InChIKeyJEZVXWSTKXUDCJ-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.29
Rot. Bonds2

About 2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride

2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride (PubChem CID 139026716) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride
PubChem CID139026716
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride
SMILESCl.NCCC1(O)Cc2ccccc2C1
InChIInChI=1S/C11H15NO.ClH/c12-6-5-11(13)7-9-3-1-2-4-10(9)8-11;/h1-4,13H,5-8,12H2;1H
InChIKeyJEZVXWSTKXUDCJ-UHFFFAOYSA-N
XLogP1.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride (CID 139026716) is 2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride is Cl.NCCC1(O)Cc2ccccc2C1.
What is the InChIKey of 2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride?
The InChIKey is JEZVXWSTKXUDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-6-5-11(13)7-9-3-1-2-4-10(9)8-11;/h1-4,13H,5-8,12H2;1H.
What are the key properties of 2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride?
2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1,3-dihydroinden-2-ol;hydrochloride is sourced from PubChem (CID 139026716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).