2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine

C15H15ClN2S — CID 62562363

IUPAC2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESClc1ccc2ccn(CCNCc3cccs3)c2c1
InChIInChI=1S/C15H15ClN2S/c16-13-4-3-12-5-7-18(15(12)10-13)8-6-17-11-14-2-1-9-19-14/h1-5,7,9-10,17H,6,8,11H2
InChIKeyZCIUFDCIACIZCS-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.15
Rot. Bonds5

About 2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine

2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62562363) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62562363
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESClc1ccc2ccn(CCNCc3cccs3)c2c1
InChIInChI=1S/C15H15ClN2S/c16-13-4-3-12-5-7-18(15(12)10-13)8-6-17-11-14-2-1-9-19-14/h1-5,7,9-10,17H,6,8,11H2
InChIKeyZCIUFDCIACIZCS-UHFFFAOYSA-N
XLogP4.15
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.15
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
N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62567755
4-methyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyridin-2-one
CID 62987494
2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline
CID 63504515
1-butyl-6-chloroindole
CID 67583801
N-[(4-bromothiophen-2-yl)methyl]-2-(4,6-dichloroindol-1-yl)ethanamine
CID 103428067
1-(thiophen-2-ylmethyl)indol-6-amine
CID 43308863
N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62562539
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112736355
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 62562363) is 2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine is Clc1ccc2ccn(CCNCc3cccs3)c2c1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is ZCIUFDCIACIZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c16-13-4-3-12-5-7-18(15(12)10-13)8-6-17-11-14-2-1-9-19-14/h1-5,7,9-10,17H,6,8,11H2.
What are the key properties of 2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 290.82 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62562363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).