1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine

C12H17BrN2 — CID 117202243

IUPAC1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine
SMILESCCN1CC(C(C)N)c2cc(Br)ccc21
InChIInChI=1S/C12H17BrN2/c1-3-15-7-11(8(2)14)10-6-9(13)4-5-12(10)15/h4-6,8,11H,3,7,14H2,1-2H3
InChIKeyZXCOWZDBHWWJPC-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.72
Rot. Bonds2

About 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine

1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine (PubChem CID 117202243) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine
PubChem CID117202243
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine
SMILESCCN1CC(C(C)N)c2cc(Br)ccc21
InChIInChI=1S/C12H17BrN2/c1-3-15-7-11(8(2)14)10-6-9(13)4-5-12(10)15/h4-6,8,11H,3,7,14H2,1-2H3
InChIKeyZXCOWZDBHWWJPC-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine?
The IUPAC name of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine (CID 117202243) is 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine is CCN1CC(C(C)N)c2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine?
The InChIKey is ZXCOWZDBHWWJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-3-15-7-11(8(2)14)10-6-9(13)4-5-12(10)15/h4-6,8,11H,3,7,14H2,1-2H3.
What are the key properties of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine?
1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine has a molecular weight of 269.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine is sourced from PubChem (CID 117202243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).