2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine

C15H23NOS — CID 3028224

IUPAC2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cccc2c1SCCC2
InChIInChI=1S/C15H23NOS/c1-3-16(4-2)10-11-17-14-9-5-7-13-8-6-12-18-15(13)14/h5,7,9H,3-4,6,8,10-12H2,1-2H3
InChIKeyVTVKUEZJOHCWFL-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.45
Rot. Bonds6

About 2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine

2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine (PubChem CID 3028224) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine
PubChem CID3028224
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1cccc2c1SCCC2
InChIInChI=1S/C15H23NOS/c1-3-16(4-2)10-11-17-14-9-5-7-13-8-6-12-18-15(13)14/h5,7,9H,3-4,6,8,10-12H2,1-2H3
InChIKeyVTVKUEZJOHCWFL-UHFFFAOYSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine (CID 3028224) is 2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine is CCN(CC)CCOc1cccc2c1SCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine?
The InChIKey is VTVKUEZJOHCWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-16(4-2)10-11-17-14-9-5-7-13-8-6-12-18-15(13)14/h5,7,9H,3-4,6,8,10-12H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine?
2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-thiochromen-8-yloxy)-N,N-diethylethanamine is sourced from PubChem (CID 3028224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).