5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine

C16H24BrN — CID 114099494

IUPAC5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)C(C)(C)CNC1CCc2cc(Br)ccc21
InChIInChI=1S/C16H24BrN/c1-11(2)16(3,4)10-18-15-8-5-12-9-13(17)6-7-14(12)15/h6-7,9,11,15,18H,5,8,10H2,1-4H3
InChIKeyVUXDYDPIUAEAAK-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.71
Rot. Bonds4

About 5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114099494) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114099494
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)C(C)(C)CNC1CCc2cc(Br)ccc21
InChIInChI=1S/C16H24BrN/c1-11(2)16(3,4)10-18-15-8-5-12-9-13(17)6-7-14(12)15/h6-7,9,11,15,18H,5,8,10H2,1-4H3
InChIKeyVUXDYDPIUAEAAK-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 63455836
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CID 61401280
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 114265413
1-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 110905317
5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine
CID 63420383
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
CID 102676098
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 63420279
3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 61069531
5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115894121
2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 61070816
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CID 80584181

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine (CID 114099494) is 5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine is CC(C)C(C)(C)CNC1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VUXDYDPIUAEAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-11(2)16(3,4)10-18-15-8-5-12-9-13(17)6-7-14(12)15/h6-7,9,11,15,18H,5,8,10H2,1-4H3.
What are the key properties of 5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2,3-trimethylbutyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114099494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).