N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine

C20H23NOS — CID 15295833

IUPACN-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCOc1cccc3c1SCCC3)C2
InChIInChI=1S/C20H23NOS/c1-2-6-17-14-18(13-16(17)5-1)21-10-11-22-19-9-3-7-15-8-4-12-23-20(15)19/h1-3,5-7,9,18,21H,4,8,10-14H2
InChIKeyAAIHZVZXFAHIFM-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.86
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine

N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 15295833) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID15295833
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC NameN-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCOc1cccc3c1SCCC3)C2
InChIInChI=1S/C20H23NOS/c1-2-6-17-14-18(13-16(17)5-1)21-10-11-22-19-9-3-7-15-8-4-12-23-20(15)19/h1-3,5-7,9,18,21H,4,8,10-14H2
InChIKeyAAIHZVZXFAHIFM-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.86
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]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 15295833) is N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCCOc1cccc3c1SCCC3)C2.
What is the InChIKey of N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is AAIHZVZXFAHIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-2-6-17-14-18(13-16(17)5-1)21-10-11-22-19-9-3-7-15-8-4-12-23-20(15)19/h1-3,5-7,9,18,21H,4,8,10-14H2.
What are the key properties of N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 325.48 g/mol, XLogP of 3.86, 5 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]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 15295833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).