1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine

C16H18N2OS — CID 4284720

IUPAC1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
SMILESCC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
InChIInChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
InChIKeyALFGDCNSEBJYSP-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.70
Rot. Bonds5

About 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine

1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine (PubChem CID 4284720) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
PubChem CID4284720
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
SMILESCC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
InChIInChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
InChIKeyALFGDCNSEBJYSP-UHFFFAOYSA-N
XLogP3.70
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine (CID 4284720) is 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine is CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12.
What is the InChIKey of 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine?
The InChIKey is ALFGDCNSEBJYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3.
What are the key properties of 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine?
1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine has a molecular weight of 286.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine is sourced from PubChem (CID 4284720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).