3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride

C11H16ClNO — CID 12857263

IUPAC3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
SMILESCc1cc(C)c2c(c1O)C(N)CC2.Cl
InChIInChI=1S/C11H15NO.ClH/c1-6-5-7(2)11(13)10-8(6)3-4-9(10)12;/h5,9,13H,3-4,12H2,1-2H3;1H
InChIKeyZUZWESARKRUOLI-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.38
Rot. Bonds

About 3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride

3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride (PubChem CID 12857263) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
PubChem CID12857263
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride
SMILESCc1cc(C)c2c(c1O)C(N)CC2.Cl
InChIInChI=1S/C11H15NO.ClH/c1-6-5-7(2)11(13)10-8(6)3-4-9(10)12;/h5,9,13H,3-4,12H2,1-2H3;1H
InChIKeyZUZWESARKRUOLI-UHFFFAOYSA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The IUPAC name of 3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride (CID 12857263) is 3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride.
What is the SMILES notation for 3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The canonical SMILES for 3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride is Cc1cc(C)c2c(c1O)C(N)CC2.Cl.
What is the InChIKey of 3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The InChIKey is ZUZWESARKRUOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-6-5-7(2)11(13)10-8(6)3-4-9(10)12;/h5,9,13H,3-4,12H2,1-2H3;1H.
What are the key properties of 3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride?
3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol;hydrochloride is sourced from PubChem (CID 12857263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).