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

C12H16BrN — CID 117388145

IUPAC1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine
SMILESCC(N)Cc1cc(Br)cc2c1CCC2
InChIInChI=1S/C12H16BrN/c1-8(14)5-10-7-11(13)6-9-3-2-4-12(9)10/h6-8H,2-5,14H2,1H3
InChIKeyLOIYMEZRQNLVLE-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.83
Rot. Bonds2

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

1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine (PubChem CID 117388145) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine
PubChem CID117388145
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine
SMILESCC(N)Cc1cc(Br)cc2c1CCC2
InChIInChI=1S/C12H16BrN/c1-8(14)5-10-7-11(13)6-9-3-2-4-12(9)10/h6-8H,2-5,14H2,1H3
InChIKeyLOIYMEZRQNLVLE-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 117388146
1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine
CID 117423845
2-(6-bromo-2,3-dihydro-1H-inden-4-yl)ethanol
CID 117354297
8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one
CID 82190811
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296655
1-[5-bromo-2-(2-ethylcyclohexyl)oxy-3-methylphenyl]propan-2-amine
CID 115962866
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-amine
CID 117292036
1-[5-bromo-2-(2-ethoxyethoxy)-3-methylphenyl]propan-2-amine
CID 112621689
1-(2-aminopropyl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117352252
methyl 2-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-hydroxyacetate
CID 117458807

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine?
The IUPAC name of 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine (CID 117388145) is 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine.
What is the SMILES notation for 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine?
The canonical SMILES for 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine is CC(N)Cc1cc(Br)cc2c1CCC2.
What is the InChIKey of 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine?
The InChIKey is LOIYMEZRQNLVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8(14)5-10-7-11(13)6-9-3-2-4-12(9)10/h6-8H,2-5,14H2,1H3.
What are the key properties of 1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine?
1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine has a molecular weight of 254.17 g/mol, XLogP of 2.83, 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)propan-2-amine is sourced from PubChem (CID 117388145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).