2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine

C13H17BrN2O — CID 23373042

IUPAC2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine
SMILESCCCOc1ccc2[nH]cc(CCN)c2c1Br
InChIInChI=1S/C13H17BrN2O/c1-2-7-17-11-4-3-10-12(13(11)14)9(5-6-15)8-16-10/h3-4,8,16H,2,5-7,15H2,1H3
InChIKeyXRQXHYDBURHRNH-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine

2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine (PubChem CID 23373042) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine
PubChem CID23373042
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine
SMILESCCCOc1ccc2[nH]cc(CCN)c2c1Br
InChIInChI=1S/C13H17BrN2O/c1-2-7-17-11-4-3-10-12(13(11)14)9(5-6-15)8-16-10/h3-4,8,16H,2,5-7,15H2,1H3
InChIKeyXRQXHYDBURHRNH-UHFFFAOYSA-N
XLogP3.22
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine
CID 23373069
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(4-fluoro-5-methyl-1H-indol-3-yl)ethanamine
CID 15274380
bis(N,N-dimethyl-2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(2-(4-propoxy-1H-indol-3-yl)ethanamine);bis(N-[2-(4-propoxy-1H-indol-3-yl)ethyl]acetamide);dihydrochloride
CID 158716765
2-(5-bromo-2-heptoxyphenyl)ethanamine
CID 55199979
2-(5-butoxy-4-chloro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 23373084
(2-bromo-3-propoxyphenyl)methanamine
CID 151857496
1,2,3-tribromo-4-propoxybenzene
CID 70578874
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
2-[5-(4-ethoxyphenyl)-1H-indol-3-yl]ethanamine
CID 75465017

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine (CID 23373042) is 2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine is CCCOc1ccc2[nH]cc(CCN)c2c1Br.
What is the InChIKey of 2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine?
The InChIKey is XRQXHYDBURHRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-2-7-17-11-4-3-10-12(13(11)14)9(5-6-15)8-16-10/h3-4,8,16H,2,5-7,15H2,1H3.
What are the key properties of 2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine?
2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine has a molecular weight of 297.20 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-propoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 23373042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).