2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine

C10H13BrN2 — CID 22612698

IUPAC2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine
SMILESNCCN1CCc2ccc(Br)cc21
InChIInChI=1S/C10H13BrN2/c11-9-2-1-8-3-5-13(6-4-12)10(8)7-9/h1-2,7H,3-6,12H2
InChIKeyVWOISYCYDSQGQE-UHFFFAOYSA-N
MW241.13 g/mol
LogP1.77
Rot. Bonds2

About 2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine

2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine (PubChem CID 22612698) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine
PubChem CID22612698
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine
SMILESNCCN1CCc2ccc(Br)cc21
InChIInChI=1S/C10H13BrN2/c11-9-2-1-8-3-5-13(6-4-12)10(8)7-9/h1-2,7H,3-6,12H2
InChIKeyVWOISYCYDSQGQE-UHFFFAOYSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
CID 18735337
N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide
CID 75534700
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
6-bromo-2,3-dihydroindol-1-amine
CID 22612697
(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine;(E)-but-2-enedioic acid
CID 23640916
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine
CID 18735361
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
1-(4-bromophenyl)-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103502441
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of 2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine (CID 22612698) is 2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for 2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for 2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine is NCCN1CCc2ccc(Br)cc21.
What is the InChIKey of 2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is VWOISYCYDSQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-2-1-8-3-5-13(6-4-12)10(8)7-9/h1-2,7H,3-6,12H2.
What are the key properties of 2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine?
2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 241.13 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 22612698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).