(6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine

C9H11BrN2 — CID 82276709

IUPAC(6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine
SMILESNCC1CNc2cc(Br)ccc21
InChIInChI=1S/C9H11BrN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,6,12H,4-5,11H2
InChIKeyOIYPJEMYLPAHEX-UHFFFAOYSA-N
MW227.10 g/mol
LogP1.92
Rot. Bonds1

About (6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine

(6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine (PubChem CID 82276709) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is (6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine
PubChem CID82276709
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name(6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine
SMILESNCC1CNc2cc(Br)ccc21
InChIInChI=1S/C9H11BrN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,6,12H,4-5,11H2
InChIKeyOIYPJEMYLPAHEX-UHFFFAOYSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine?
The IUPAC name of (6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine (CID 82276709) is (6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine.
What is the SMILES notation for (6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine?
The canonical SMILES for (6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine is NCC1CNc2cc(Br)ccc21.
What is the InChIKey of (6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine?
The InChIKey is OIYPJEMYLPAHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,6,12H,4-5,11H2.
What are the key properties of (6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine?
(6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine has a molecular weight of 227.10 g/mol, XLogP of 1.92, 1 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-indol-3-yl)methanamine is sourced from PubChem (CID 82276709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).