1-(5-bromo-1-methylindol-2-yl)ethanamine

C11H13BrN2 — CID 83866987

IUPAC1-(5-bromo-1-methylindol-2-yl)ethanamine
SMILESCC(N)c1cc2cc(Br)ccc2n1C
InChIInChI=1S/C11H13BrN2/c1-7(13)11-6-8-5-9(12)3-4-10(8)14(11)2/h3-7H,13H2,1-2H3
InChIKeyXGDAHQOQDJBHJA-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.96
Rot. Bonds1

About 1-(5-bromo-1-methylindol-2-yl)ethanamine

1-(5-bromo-1-methylindol-2-yl)ethanamine (PubChem CID 83866987) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 1-(5-bromo-1-methylindol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-methylindol-2-yl)ethanamine
PubChem CID83866987
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name1-(5-bromo-1-methylindol-2-yl)ethanamine
SMILESCC(N)c1cc2cc(Br)ccc2n1C
InChIInChI=1S/C11H13BrN2/c1-7(13)11-6-8-5-9(12)3-4-10(8)14(11)2/h3-7H,13H2,1-2H3
InChIKeyXGDAHQOQDJBHJA-UHFFFAOYSA-N
XLogP2.96
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylindol-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-1-methylindol-2-yl)ethanamine (CID 83866987) is 1-(5-bromo-1-methylindol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-1-methylindol-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-1-methylindol-2-yl)ethanamine is CC(N)c1cc2cc(Br)ccc2n1C.
What is the InChIKey of 1-(5-bromo-1-methylindol-2-yl)ethanamine?
The InChIKey is XGDAHQOQDJBHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-7(13)11-6-8-5-9(12)3-4-10(8)14(11)2/h3-7H,13H2,1-2H3.
What are the key properties of 1-(5-bromo-1-methylindol-2-yl)ethanamine?
1-(5-bromo-1-methylindol-2-yl)ethanamine has a molecular weight of 253.14 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylindol-2-yl)ethanamine is sourced from PubChem (CID 83866987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).