6-bromo-2,3-dihydroindol-1-amine

C8H9BrN2 — CID 22612697

IUPAC6-bromo-2,3-dihydroindol-1-amine
SMILESNN1CCc2ccc(Br)cc21
InChIInChI=1S/C8H9BrN2/c9-7-2-1-6-3-4-11(10)8(6)5-7/h1-2,5H,3-4,10H2
InChIKeyGZJBDOZUGKTEHY-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.69
Rot. Bonds

About 6-bromo-2,3-dihydroindol-1-amine

6-bromo-2,3-dihydroindol-1-amine (PubChem CID 22612697) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 6-bromo-2,3-dihydroindol-1-amine.

Molecular Properties

Compound Name6-bromo-2,3-dihydroindol-1-amine
PubChem CID22612697
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name6-bromo-2,3-dihydroindol-1-amine
SMILESNN1CCc2ccc(Br)cc21
InChIInChI=1S/C8H9BrN2/c9-7-2-1-6-3-4-11(10)8(6)5-7/h1-2,5H,3-4,10H2
InChIKeyGZJBDOZUGKTEHY-UHFFFAOYSA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydroindol-1-amine?
The IUPAC name of 6-bromo-2,3-dihydroindol-1-amine (CID 22612697) is 6-bromo-2,3-dihydroindol-1-amine.
What is the SMILES notation for 6-bromo-2,3-dihydroindol-1-amine?
The canonical SMILES for 6-bromo-2,3-dihydroindol-1-amine is NN1CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2,3-dihydroindol-1-amine?
The InChIKey is GZJBDOZUGKTEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c9-7-2-1-6-3-4-11(10)8(6)5-7/h1-2,5H,3-4,10H2.
What are the key properties of 6-bromo-2,3-dihydroindol-1-amine?
6-bromo-2,3-dihydroindol-1-amine has a molecular weight of 213.08 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydroindol-1-amine is sourced from PubChem (CID 22612697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).