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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Related Compounds

CID 3073933
CID 3073933
CID 3073939
CID 3073939
CID 3073940
CID 3073940
CID 9841495
CID 9841495
CID 15295831
CID 15295831
CID 15295834
CID 15295834
CID 3028068
CID 3028068
CID 3028131
CID 3028131
CID 3073914
CID 3073914
CID 3073948
CID 3073948
CID 21150318
CID 21150318
CID 60702098
CID 60702098

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).