2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine

C11H15BrN2 — CID 118050177

IUPAC2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine
SMILESCC1Cc2c(Br)cccc2N1CCN
InChIInChI=1S/C11H15BrN2/c1-8-7-9-10(12)3-2-4-11(9)14(8)6-5-13/h2-4,8H,5-7,13H2,1H3
InChIKeyOCXXXTWCZZXMCL-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.16
Rot. Bonds2

About 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine

2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine (PubChem CID 118050177) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine
PubChem CID118050177
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine
SMILESCC1Cc2c(Br)cccc2N1CCN
InChIInChI=1S/C11H15BrN2/c1-8-7-9-10(12)3-2-4-11(9)14(8)6-5-13/h2-4,8H,5-7,13H2,1H3
InChIKeyOCXXXTWCZZXMCL-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine (CID 118050177) is 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine is CC1Cc2c(Br)cccc2N1CCN.
What is the InChIKey of 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is OCXXXTWCZZXMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-7-9-10(12)3-2-4-11(9)14(8)6-5-13/h2-4,8H,5-7,13H2,1H3.
What are the key properties of 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine?
2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 255.16 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 118050177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).