2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine

C17H18N2OS — CID 2049526

IUPAC2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine
SMILESCOc1ccc(-c2[nH]c3ccccc3c2SCCN)cc1
InChIInChI=1S/C17H18N2OS/c1-20-13-8-6-12(7-9-13)16-17(21-11-10-18)14-4-2-3-5-15(14)19-16/h2-9,19H,10-11,18H2,1H3
InChIKeyFFWUFVNXEUBKSS-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.89
Rot. Bonds5

About 2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine

2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine (PubChem CID 2049526) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine
PubChem CID2049526
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine
SMILESCOc1ccc(-c2[nH]c3ccccc3c2SCCN)cc1
InChIInChI=1S/C17H18N2OS/c1-20-13-8-6-12(7-9-13)16-17(21-11-10-18)14-4-2-3-5-15(14)19-16/h2-9,19H,10-11,18H2,1H3
InChIKeyFFWUFVNXEUBKSS-UHFFFAOYSA-N
XLogP3.89
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine (CID 2049526) is 2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine is COc1ccc(-c2[nH]c3ccccc3c2SCCN)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine?
The InChIKey is FFWUFVNXEUBKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-20-13-8-6-12(7-9-13)16-17(21-11-10-18)14-4-2-3-5-15(14)19-16/h2-9,19H,10-11,18H2,1H3.
What are the key properties of 2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine?
2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine has a molecular weight of 298.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethanamine is sourced from PubChem (CID 2049526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).