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

C16H19ClN2OS — CID 5311036

IUPAC1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12.Cl
InChIInChI=1S/C16H18N2OS.ClH/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;1H
InChIKeyPYJBJMIBANAOFJ-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.12
Rot. Bonds5

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

1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride (PubChem CID 5311036) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride
PubChem CID5311036
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12.Cl
InChIInChI=1S/C16H18N2OS.ClH/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;1H
InChIKeyPYJBJMIBANAOFJ-UHFFFAOYSA-N
XLogP4.12
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.12
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;hydrochloride?
The IUPAC name of 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride (CID 5311036) is 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride is CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12.Cl.
What is the InChIKey of 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is PYJBJMIBANAOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS.ClH/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;1H.
What are the key properties of 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride?
1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 4.12, 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;hydrochloride is sourced from PubChem (CID 5311036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).