1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine

C13H18BrN — CID 117423845

IUPAC1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(Br)cc2c1CCC2
InChIInChI=1S/C13H18BrN/c1-13(2,15)8-10-7-11(14)6-9-4-3-5-12(9)10/h6-7H,3-5,8,15H2,1-2H3
InChIKeyDKGHFIHCOWNPAP-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.22
Rot. Bonds2

About 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine

1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine (PubChem CID 117423845) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine
PubChem CID117423845
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(Br)cc2c1CCC2
InChIInChI=1S/C13H18BrN/c1-13(2,15)8-10-7-11(14)6-9-4-3-5-12(9)10/h6-7H,3-5,8,15H2,1-2H3
InChIKeyDKGHFIHCOWNPAP-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine (CID 117423845) is 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1cc(Br)cc2c1CCC2.
What is the InChIKey of 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine?
The InChIKey is DKGHFIHCOWNPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-13(2,15)8-10-7-11(14)6-9-4-3-5-12(9)10/h6-7H,3-5,8,15H2,1-2H3.
What are the key properties of 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine?
1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine has a molecular weight of 268.20 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117423845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).