1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride

C13H20ClN — CID 71299226

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CC1Cc2ccccc2C1.Cl
InChIInChI=1S/C13H19N.ClH/c1-13(2,14)9-10-7-11-5-3-4-6-12(11)8-10;/h3-6,10H,7-9,14H2,1-2H3;1H
InChIKeyWBROBVXHCOSKDW-UHFFFAOYSA-N
MW225.76 g/mol
LogP2.95
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride

1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride (PubChem CID 71299226) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride
PubChem CID71299226
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CC1Cc2ccccc2C1.Cl
InChIInChI=1S/C13H19N.ClH/c1-13(2,14)9-10-7-11-5-3-4-6-12(11)8-10;/h3-6,10H,7-9,14H2,1-2H3;1H
InChIKeyWBROBVXHCOSKDW-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride (CID 71299226) is 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CC1Cc2ccccc2C1.Cl.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride?
The InChIKey is WBROBVXHCOSKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-13(2,14)9-10-7-11-5-3-4-6-12(11)8-10;/h3-6,10H,7-9,14H2,1-2H3;1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride?
1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 71299226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).