N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine

C16H17ClN2S — CID 63879905

IUPACN-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
SMILESClc1ccc2c(ccn2CCNCCc2cccs2)c1
InChIInChI=1S/C16H17ClN2S/c17-14-3-4-16-13(12-14)6-9-19(16)10-8-18-7-5-15-2-1-11-20-15/h1-4,6,9,11-12,18H,5,7-8,10H2
InChIKeyQNRFAOJGELOYRW-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.19
Rot. Bonds6

About N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine

N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 63879905) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
PubChem CID63879905
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC NameN-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
SMILESClc1ccc2c(ccn2CCNCCc2cccs2)c1
InChIInChI=1S/C16H17ClN2S/c17-14-3-4-16-13(12-14)6-9-19(16)10-8-18-7-5-15-2-1-11-20-15/h1-4,6,9,11-12,18H,5,7-8,10H2
InChIKeyQNRFAOJGELOYRW-UHFFFAOYSA-N
XLogP4.19
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.19
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

2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62562363
N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62567755
N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55256324
N-[2-(5-chloroindol-1-yl)ethyl]hexan-1-amine
CID 63879376
5-nitro-1-(2-thiophen-2-ylethyl)indole
CID 116619096
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62563025
[1-(2-thiophen-2-ylethyl)indol-5-yl]methanol
CID 102912527
N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63879375
1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid
CID 63775889
4-(5-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one
CID 63879726
2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 63879209
1-but-3-enyl-5-chloroindole
CID 84573302

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine (CID 63879905) is N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine is Clc1ccc2c(ccn2CCNCCc2cccs2)c1.
What is the InChIKey of N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is QNRFAOJGELOYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c17-14-3-4-16-13(12-14)6-9-19(16)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-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 304.85 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63879905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).