2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine

C13H17BrN2 — CID 84642829

IUPAC2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine
SMILESCC(C)c1ccc2[nH]c(CCN)c(Br)c2c1
InChIInChI=1S/C13H17BrN2/c1-8(2)9-3-4-11-10(7-9)13(14)12(16-11)5-6-15/h3-4,7-8,16H,5-6,15H2,1-2H3
InChIKeyWLRMCNZOALMTBN-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.56
Rot. Bonds3

About 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine

2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine (PubChem CID 84642829) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine
PubChem CID84642829
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine
SMILESCC(C)c1ccc2[nH]c(CCN)c(Br)c2c1
InChIInChI=1S/C13H17BrN2/c1-8(2)9-3-4-11-10(7-9)13(14)12(16-11)5-6-15/h3-4,7-8,16H,5-6,15H2,1-2H3
InChIKeyWLRMCNZOALMTBN-UHFFFAOYSA-N
XLogP3.56
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromo-5-propan-2-yl-1H-indol-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

Related Compounds

2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine
CID 84644203
2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine
CID 84641076
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371
(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanol
CID 84620017
oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
CID 21071579
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973
N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622421
4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one
CID 19379677
6-propan-2-yl-1H-3,1-benzoxazine-2,4-dithione
CID 54452727
2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
CID 102497800
1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine
CID 84641981
2-[2-[2-(2-aminoethyl)-4-propan-2-ylphenyl]sulfanyl-5-propan-2-ylphenyl]ethanamine
CID 67298155

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine (CID 84642829) is 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine is CC(C)c1ccc2[nH]c(CCN)c(Br)c2c1.
What is the InChIKey of 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine?
The InChIKey is WLRMCNZOALMTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-8(2)9-3-4-11-10(7-9)13(14)12(16-11)5-6-15/h3-4,7-8,16H,5-6,15H2,1-2H3.
What are the key properties of 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine?
2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine has a molecular weight of 281.20 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 84642829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).