(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine

C11H15BrN2 — CID 6604042

IUPAC(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCc2ccc(Br)cc21
InChIInChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
InChIKeyQGRQJMXAQYGAKK-QMMMGPOBSA-N
MW255.16 g/mol
LogP2.16
Rot. Bonds2

About (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine

(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine (PubChem CID 6604042) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
PubChem CID6604042
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCc2ccc(Br)cc21
InChIInChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
InChIKeyQGRQJMXAQYGAKK-QMMMGPOBSA-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 (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine 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 (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine (CID 6604042) is (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine is C[C@H](N)CN1CCc2ccc(Br)cc21.
What is the InChIKey of (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine?
The InChIKey is QGRQJMXAQYGAKK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine?
(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine 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 (2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine is sourced from PubChem (CID 6604042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).