6-bromo-2,3-dihydro-1H-isoindol-5-amine

C8H9BrN2 — CID 54593310

IUPAC6-bromo-2,3-dihydro-1H-isoindol-5-amine
SMILESNc1cc2c(cc1Br)CNC2
InChIInChI=1S/C8H9BrN2/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-2,11H,3-4,10H2
InChIKeyWZLBPYWHULGMJR-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.63
Rot. Bonds

About 6-bromo-2,3-dihydro-1H-isoindol-5-amine

6-bromo-2,3-dihydro-1H-isoindol-5-amine (PubChem CID 54593310) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1H-isoindol-5-amine.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1H-isoindol-5-amine
PubChem CID54593310
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name6-bromo-2,3-dihydro-1H-isoindol-5-amine
SMILESNc1cc2c(cc1Br)CNC2
InChIInChI=1S/C8H9BrN2/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-2,11H,3-4,10H2
InChIKeyWZLBPYWHULGMJR-UHFFFAOYSA-N
XLogP1.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1H-isoindol-5-amine?
The IUPAC name of 6-bromo-2,3-dihydro-1H-isoindol-5-amine (CID 54593310) is 6-bromo-2,3-dihydro-1H-isoindol-5-amine.
What is the SMILES notation for 6-bromo-2,3-dihydro-1H-isoindol-5-amine?
The canonical SMILES for 6-bromo-2,3-dihydro-1H-isoindol-5-amine is Nc1cc2c(cc1Br)CNC2.
What is the InChIKey of 6-bromo-2,3-dihydro-1H-isoindol-5-amine?
The InChIKey is WZLBPYWHULGMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-2,11H,3-4,10H2.
What are the key properties of 6-bromo-2,3-dihydro-1H-isoindol-5-amine?
6-bromo-2,3-dihydro-1H-isoindol-5-amine has a molecular weight of 213.08 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1H-isoindol-5-amine is sourced from PubChem (CID 54593310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).