2-(3-bromo-2-methylindol-1-yl)ethanamine

C11H13BrN2 — CID 62830447

IUPAC2-(3-bromo-2-methylindol-1-yl)ethanamine
SMILESCc1c(Br)c2ccccc2n1CCN
InChIInChI=1S/C11H13BrN2/c1-8-11(12)9-4-2-3-5-10(9)14(8)7-6-13/h2-5H,6-7,13H2,1H3
InChIKeyVAQPHHLVXYIKHA-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.67
Rot. Bonds2

About 2-(3-bromo-2-methylindol-1-yl)ethanamine

2-(3-bromo-2-methylindol-1-yl)ethanamine (PubChem CID 62830447) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)ethanamine
PubChem CID62830447
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-(3-bromo-2-methylindol-1-yl)ethanamine
SMILESCc1c(Br)c2ccccc2n1CCN
InChIInChI=1S/C11H13BrN2/c1-8-11(12)9-4-2-3-5-10(9)14(8)7-6-13/h2-5H,6-7,13H2,1H3
InChIKeyVAQPHHLVXYIKHA-UHFFFAOYSA-N
XLogP2.67
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)ethanamine?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)ethanamine (CID 62830447) is 2-(3-bromo-2-methylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)ethanamine is Cc1c(Br)c2ccccc2n1CCN.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)ethanamine?
The InChIKey is VAQPHHLVXYIKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-8-11(12)9-4-2-3-5-10(9)14(8)7-6-13/h2-5H,6-7,13H2,1H3.
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)ethanamine?
2-(3-bromo-2-methylindol-1-yl)ethanamine has a molecular weight of 253.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)ethanamine is sourced from PubChem (CID 62830447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).