N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine

C18H22N2S — CID 63504332

IUPACN-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCCc1cccc2ccn(CCNC(C)c3cccs3)c12
InChIInChI=1S/C18H22N2S/c1-3-15-6-4-7-16-9-11-20(18(15)16)12-10-19-14(2)17-8-5-13-21-17/h4-9,11,13-14,19H,3,10,12H2,1-2H3
InChIKeyAYAFALKPCKRGBN-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.62
Rot. Bonds6

About N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine

N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 63504332) has the molecular formula C18H22N2S and a molecular weight of 298.46 g/mol. Its IUPAC name is N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID63504332
Molecular FormulaC18H22N2S
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC NameN-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCCc1cccc2ccn(CCNC(C)c3cccs3)c12
InChIInChI=1S/C18H22N2S/c1-3-15-6-4-7-16-9-11-20(18(15)16)12-10-19-14(2)17-8-5-13-21-17/h4-9,11,13-14,19H,3,10,12H2,1-2H3
InChIKeyAYAFALKPCKRGBN-UHFFFAOYSA-N
XLogP4.62
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine (CID 63504332) is N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine is CCc1cccc2ccn(CCNC(C)c3cccs3)c12.
What is the InChIKey of N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is AYAFALKPCKRGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-3-15-6-4-7-16-9-11-20(18(15)16)12-10-19-14(2)17-8-5-13-21-17/h4-9,11,13-14,19H,3,10,12H2,1-2H3.
What are the key properties of N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 298.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethylindol-1-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 63504332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).