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

C13H19BrN2 — CID 117198803

IUPAC1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
SMILESCC(N)C1Cc2c(Br)cccc2N1C(C)C
InChIInChI=1S/C13H19BrN2/c1-8(2)16-12-6-4-5-11(14)10(12)7-13(16)9(3)15/h4-6,8-9,13H,7,15H2,1-3H3
InChIKeyURAIXNACHZESOP-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.94
Rot. Bonds2

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

1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine (PubChem CID 117198803) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
PubChem CID117198803
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
SMILESCC(N)C1Cc2c(Br)cccc2N1C(C)C
InChIInChI=1S/C13H19BrN2/c1-8(2)16-12-6-4-5-11(14)10(12)7-13(16)9(3)15/h4-6,8-9,13H,7,15H2,1-3H3
InChIKeyURAIXNACHZESOP-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-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 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine (CID 117198803) is 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine is CC(N)C1Cc2c(Br)cccc2N1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine?
The InChIKey is URAIXNACHZESOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-8(2)16-12-6-4-5-11(14)10(12)7-13(16)9(3)15/h4-6,8-9,13H,7,15H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine?
1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine has a molecular weight of 283.21 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine is sourced from PubChem (CID 117198803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).