1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine

C10H13BrN2 — CID 117199956

IUPAC1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine
SMILESCC(N)C1CNc2cccc(Br)c21
InChIInChI=1S/C10H13BrN2/c1-6(12)7-5-13-9-4-2-3-8(11)10(7)9/h2-4,6-7,13H,5,12H2,1H3
InChIKeyZTFXAFRXHOKYNP-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.31
Rot. Bonds1

About 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine

1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine (PubChem CID 117199956) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine
PubChem CID117199956
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine
SMILESCC(N)C1CNc2cccc(Br)c21
InChIInChI=1S/C10H13BrN2/c1-6(12)7-5-13-9-4-2-3-8(11)10(7)9/h2-4,6-7,13H,5,12H2,1H3
InChIKeyZTFXAFRXHOKYNP-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2,3-dihydro-1H-indol-3-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-2,3-dihydro-1H-indol-3-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine (CID 117199956) is 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine is CC(N)C1CNc2cccc(Br)c21.
What is the InChIKey of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine?
The InChIKey is ZTFXAFRXHOKYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-6(12)7-5-13-9-4-2-3-8(11)10(7)9/h2-4,6-7,13H,5,12H2,1H3.
What are the key properties of 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine?
1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine has a molecular weight of 241.13 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 117199956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).