2-(3-bromo-1H-indol-2-yl)ethanamine

C10H11BrN2 — CID 84629371

IUPAC2-(3-bromo-1H-indol-2-yl)ethanamine
SMILESNCCc1[nH]c2ccccc2c1Br
InChIInChI=1S/C10H11BrN2/c11-10-7-3-1-2-4-8(7)13-9(10)5-6-12/h1-4,13H,5-6,12H2
InChIKeyHGVCODDTNWKVJD-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.43
Rot. Bonds2

About 2-(3-bromo-1H-indol-2-yl)ethanamine

2-(3-bromo-1H-indol-2-yl)ethanamine (PubChem CID 84629371) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-(3-bromo-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-1H-indol-2-yl)ethanamine
PubChem CID84629371
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name2-(3-bromo-1H-indol-2-yl)ethanamine
SMILESNCCc1[nH]c2ccccc2c1Br
InChIInChI=1S/C10H11BrN2/c11-10-7-3-1-2-4-8(7)13-9(10)5-6-12/h1-4,13H,5-6,12H2
InChIKeyHGVCODDTNWKVJD-UHFFFAOYSA-N
XLogP2.43
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1H-indol-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-1H-indol-2-yl)ethanamine (CID 84629371) is 2-(3-bromo-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-1H-indol-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-1H-indol-2-yl)ethanamine is NCCc1[nH]c2ccccc2c1Br.
What is the InChIKey of 2-(3-bromo-1H-indol-2-yl)ethanamine?
The InChIKey is HGVCODDTNWKVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-10-7-3-1-2-4-8(7)13-9(10)5-6-12/h1-4,13H,5-6,12H2.
What are the key properties of 2-(3-bromo-1H-indol-2-yl)ethanamine?
2-(3-bromo-1H-indol-2-yl)ethanamine has a molecular weight of 239.12 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 84629371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).