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

C17H20N2S — CID 62563025

IUPACN-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
SMILESCc1cc2ccccc2n1CCNCCc1cccs1
InChIInChI=1S/C17H20N2S/c1-14-13-15-5-2-3-7-17(15)19(14)11-10-18-9-8-16-6-4-12-20-16/h2-7,12-13,18H,8-11H2,1H3
InChIKeyJFFKQAKYVXSKTQ-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.84
Rot. Bonds6

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

N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 62563025) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
PubChem CID62563025
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
SMILESCc1cc2ccccc2n1CCNCCc1cccs1
InChIInChI=1S/C17H20N2S/c1-14-13-15-5-2-3-7-17(15)19(14)11-10-18-9-8-16-6-4-12-20-16/h2-7,12-13,18H,8-11H2,1H3
InChIKeyJFFKQAKYVXSKTQ-UHFFFAOYSA-N
XLogP3.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine (CID 62563025) is N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine is Cc1cc2ccccc2n1CCNCCc1cccs1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is JFFKQAKYVXSKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-14-13-15-5-2-3-7-17(15)19(14)11-10-18-9-8-16-6-4-12-20-16/h2-7,12-13,18H,8-11H2,1H3.
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 284.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62563025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).