6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

C16H19NOS — CID 15107528

IUPAC6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCC(NCCc1cccs1)C2
InChIInChI=1S/C16H19NOS/c18-16-5-1-3-12-11-13(6-7-15(12)16)17-9-8-14-4-2-10-19-14/h1-5,10,13,17-18H,6-9,11H2
InChIKeyRDMWWGLKUMLLTG-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.14
Rot. Bonds4

About 6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 15107528) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID15107528
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCC(NCCc1cccs1)C2
InChIInChI=1S/C16H19NOS/c18-16-5-1-3-12-11-13(6-7-15(12)16)17-9-8-14-4-2-10-19-14/h1-5,10,13,17-18H,6-9,11H2
InChIKeyRDMWWGLKUMLLTG-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 15107528) is 6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cccc2c1CCC(NCCc1cccs1)C2.
What is the InChIKey of 6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is RDMWWGLKUMLLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-16-5-1-3-12-11-13(6-7-15(12)16)17-9-8-14-4-2-10-19-14/h1-5,10,13,17-18H,6-9,11H2.
What are the key properties of 6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 273.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 15107528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).