2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine

C11H13BrN2 — CID 723204

IUPAC2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2ccc(Br)cc2c1CCN
InChIInChI=1S/C11H13BrN2/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3
InChIKeyUPUOXDPQRITUJL-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.74
Rot. Bonds2

About 2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine

2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 723204) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID723204
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2ccc(Br)cc2c1CCN
InChIInChI=1S/C11H13BrN2/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3
InChIKeyUPUOXDPQRITUJL-UHFFFAOYSA-N
XLogP2.74
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine (CID 723204) is 2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2ccc(Br)cc2c1CCN.
What is the InChIKey of 2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is UPUOXDPQRITUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3.
What are the key properties of 2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine?
2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 253.14 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 723204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).