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

C17H26BrN — CID 63420383

IUPAC5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCCC(CC)CNC1CCc2cc(Br)ccc21
InChIInChI=1S/C17H26BrN/c1-3-5-6-13(4-2)12-19-17-10-7-14-11-15(18)8-9-16(14)17/h8-9,11,13,17,19H,3-7,10,12H2,1-2H3
InChIKeyPVJZXPLTRIEKJP-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.24
Rot. Bonds7

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

5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 63420383) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID63420383
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCCC(CC)CNC1CCc2cc(Br)ccc21
InChIInChI=1S/C17H26BrN/c1-3-5-6-13(4-2)12-19-17-10-7-14-11-15(18)8-9-16(14)17/h8-9,11,13,17,19H,3-7,10,12H2,1-2H3
InChIKeyPVJZXPLTRIEKJP-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine (CID 63420383) is 5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine is CCCCC(CC)CNC1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PVJZXPLTRIEKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-5-6-13(4-2)12-19-17-10-7-14-11-15(18)8-9-16(14)17/h8-9,11,13,17,19H,3-7,10,12H2,1-2H3.
What are the key properties of 5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63420383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).