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

C11H13BrN2O — CID 84641076

IUPAC2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine
SMILESCOc1ccc2[nH]c(CCN)c(Br)c2c1
InChIInChI=1S/C11H13BrN2O/c1-15-7-2-3-9-8(6-7)11(12)10(14-9)4-5-13/h2-3,6,14H,4-5,13H2,1H3
InChIKeyVTSFLDHTWXGGON-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.44
Rot. Bonds3

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

2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine (PubChem CID 84641076) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine
PubChem CID84641076
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine
SMILESCOc1ccc2[nH]c(CCN)c(Br)c2c1
InChIInChI=1S/C11H13BrN2O/c1-15-7-2-3-9-8(6-7)11(12)10(14-9)4-5-13/h2-3,6,14H,4-5,13H2,1H3
InChIKeyVTSFLDHTWXGGON-UHFFFAOYSA-N
XLogP2.44
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methoxy-1H-indol-2-yl)methanol
CID 115047680
2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine
CID 84642829
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371
4-(aminomethyl)-6-methoxy-1H-quinolin-2-one
CID 82506632
2-(5-methoxy-1H-indol-2-yl)ethanamine
CID 11217728
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
CID 170857438
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-ethyl-5-methoxy-1H-indole-3-carbonitrile
CID 84669470
2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine
CID 13089119
2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
CID 118108331
4-[3-(4-aminobutyl)-5-methoxy-1H-indol-2-yl]-N,N-dimethylaniline
CID 3997182

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine (CID 84641076) is 2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine is COc1ccc2[nH]c(CCN)c(Br)c2c1.
What is the InChIKey of 2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine?
The InChIKey is VTSFLDHTWXGGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-15-7-2-3-9-8(6-7)11(12)10(14-9)4-5-13/h2-3,6,14H,4-5,13H2,1H3.
What are the key properties of 2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine?
2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine has a molecular weight of 269.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 84641076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).