N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine

C15H23NOS — CID 21150318

IUPACN-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOc1cccc2c1SCCC2
InChIInChI=1S/C15H23NOS/c1-15(2,3)16-9-10-17-13-8-4-6-12-7-5-11-18-14(12)13/h4,6,8,16H,5,7,9-11H2,1-3H3
InChIKeyGIJDEBPJPZGZMJ-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.49
Rot. Bonds4

About N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine

N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine (PubChem CID 21150318) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine
PubChem CID21150318
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCOc1cccc2c1SCCC2
InChIInChI=1S/C15H23NOS/c1-15(2,3)16-9-10-17-13-8-4-6-12-7-5-11-18-14(12)13/h4,6,8,16H,5,7,9-11H2,1-3H3
InChIKeyGIJDEBPJPZGZMJ-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine (CID 21150318) is N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCOc1cccc2c1SCCC2.
What is the InChIKey of N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is GIJDEBPJPZGZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-15(2,3)16-9-10-17-13-8-4-6-12-7-5-11-18-14(12)13/h4,6,8,16H,5,7,9-11H2,1-3H3.
What are the key properties of N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine?
N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 21150318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).