N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine

C16H17BrN2S — CID 62567755

IUPACN-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
SMILESBrc1ccc2ccn(CCNCCc3cccs3)c2c1
InChIInChI=1S/C16H17BrN2S/c17-14-4-3-13-6-9-19(16(13)12-14)10-8-18-7-5-15-2-1-11-20-15/h1-4,6,9,11-12,18H,5,7-8,10H2
InChIKeyXMIYXVRGMPBOIA-UHFFFAOYSA-N
MW349.30 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine

N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 62567755) has the molecular formula C16H17BrN2S and a molecular weight of 349.30 g/mol. Its IUPAC name is N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
PubChem CID62567755
Molecular FormulaC16H17BrN2S
Molecular Weight349.30 g/mol
Exact Mass348.03
IUPAC NameN-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
SMILESBrc1ccc2ccn(CCNCCc3cccs3)c2c1
InChIInChI=1S/C16H17BrN2S/c17-14-4-3-13-6-9-19(16(13)12-14)10-8-18-7-5-15-2-1-11-20-15/h1-4,6,9,11-12,18H,5,7-8,10H2
InChIKeyXMIYXVRGMPBOIA-UHFFFAOYSA-N
XLogP4.30
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63879905
2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62562363
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62563025
6-bromo-1-(2-fluoroethyl)indole
CID 116622037
6-bromo-1-but-3-enylindole
CID 116622027
N-[3-(6-bromoindol-1-yl)propyl]aniline
CID 63506154
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735481
N-[2-(4-bromo-2-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63214231
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
6-bromo-1-(2-methylsulfonylethyl)indole
CID 116621937
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine (CID 62567755) is N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine is Brc1ccc2ccn(CCNCCc3cccs3)c2c1.
What is the InChIKey of N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is XMIYXVRGMPBOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2S/c17-14-4-3-13-6-9-19(16(13)12-14)10-8-18-7-5-15-2-1-11-20-15/h1-4,6,9,11-12,18H,5,7-8,10H2.
What are the key properties of N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 349.30 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62567755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).