1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine

C13H17BrN2 — CID 82278947

IUPAC1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cn(C)c2cc(Br)ccc12
InChIInChI=1S/C13H17BrN2/c1-8(2)13(15)11-7-16(3)12-6-9(14)4-5-10(11)12/h4-8,13H,15H2,1-3H3
InChIKeyIIUNHPUWSUFFLK-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.60
Rot. Bonds2

About 1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine

1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine (PubChem CID 82278947) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine
PubChem CID82278947
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cn(C)c2cc(Br)ccc12
InChIInChI=1S/C13H17BrN2/c1-8(2)13(15)11-7-16(3)12-6-9(14)4-5-10(11)12/h4-8,13H,15H2,1-3H3
InChIKeyIIUNHPUWSUFFLK-UHFFFAOYSA-N
XLogP3.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1-methyl-3-propan-2-ylindole
CID 115046928
ethyl 2-amino-2-(6-bromo-1-methylindol-3-yl)acetate
CID 115073266
1-(5-bromo-1-methylindol-3-yl)propan-1-amine
CID 82278922
(1R)-1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 96662464
1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 82477672
6-bromo-3-ethyl-1-methylindole
CID 115042453
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
6-bromo-3-(1,1-difluoroethyl)-1-methylindole
CID 84713699
2,7-dibromo-9-methylcarbazole
CID 11851387
6-fluoro-1-methyl-3-propan-2-ylindole
CID 58525499
7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807892
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine (CID 82278947) is 1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine is CC(C)C(N)c1cn(C)c2cc(Br)ccc12.
What is the InChIKey of 1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine?
The InChIKey is IIUNHPUWSUFFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-8(2)13(15)11-7-16(3)12-6-9(14)4-5-10(11)12/h4-8,13H,15H2,1-3H3.
What are the key properties of 1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine?
1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine has a molecular weight of 281.20 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82278947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).