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

C11H15BrN2 — CID 139467696

IUPAC2-(5-bromo-1H-indol-3-yl)ethanamine;methane
SMILESC.NCCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H11BrN2.CH4/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H4
InChIKeyZWOSLFBCSVKPFF-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.07
Rot. Bonds2

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

2-(5-bromo-1H-indol-3-yl)ethanamine;methane (PubChem CID 139467696) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)ethanamine;methane.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)ethanamine;methane
PubChem CID139467696
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-(5-bromo-1H-indol-3-yl)ethanamine;methane
SMILESC.NCCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H11BrN2.CH4/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H4
InChIKeyZWOSLFBCSVKPFF-UHFFFAOYSA-N
XLogP3.07
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
CID 20976500
2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine oxide
CID 53493869
3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide
CID 88521979
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
2-(5-bromo-1H-indol-3-yl)acetaldehyde
CID 20623493
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
2-(5,7-dibromo-1H-indol-3-yl)ethanamine
CID 15274384
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)ethanamine;methane?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)ethanamine;methane (CID 139467696) is 2-(5-bromo-1H-indol-3-yl)ethanamine;methane.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)ethanamine;methane?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)ethanamine;methane is C.NCCc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)ethanamine;methane?
The InChIKey is ZWOSLFBCSVKPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2.CH4/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H4.
What are the key properties of 2-(5-bromo-1H-indol-3-yl)ethanamine;methane?
2-(5-bromo-1H-indol-3-yl)ethanamine;methane has a molecular weight of 255.16 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)ethanamine;methane is sourced from PubChem (CID 139467696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).