1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol

C13H17NO — CID 105455680

IUPAC1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol
SMILESCC(C)(CN)C1=CCc2c(O)cccc21
InChIInChI=1S/C13H17NO/c1-13(2,8-14)11-7-6-10-9(11)4-3-5-12(10)15/h3-5,7,15H,6,8,14H2,1-2H3
InChIKeyBAPQISUBVBXWJJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.32
Rot. Bonds2

About 1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol

1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol (PubChem CID 105455680) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol
PubChem CID105455680
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol
SMILESCC(C)(CN)C1=CCc2c(O)cccc21
InChIInChI=1S/C13H17NO/c1-13(2,8-14)11-7-6-10-9(11)4-3-5-12(10)15/h3-5,7,15H,6,8,14H2,1-2H3
InChIKeyBAPQISUBVBXWJJ-UHFFFAOYSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol (CID 105455680) is 1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol is CC(C)(CN)C1=CCc2c(O)cccc21.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol?
The InChIKey is BAPQISUBVBXWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,8-14)11-7-6-10-9(11)4-3-5-12(10)15/h3-5,7,15H,6,8,14H2,1-2H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol?
1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol has a molecular weight of 203.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-3H-inden-4-ol is sourced from PubChem (CID 105455680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).