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

C21H25NOS — CID 15295831

IUPACN-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCCOc1cccc3c1SCCC3)C2
InChIInChI=1S/C21H25NOS/c1-2-7-18-15-19(14-17(18)6-1)22-11-5-12-23-20-10-3-8-16-9-4-13-24-21(16)20/h1-3,6-8,10,19,22H,4-5,9,11-15H2
InChIKeyWCHSHSRYXXXTBK-UHFFFAOYSA-N
MW339.50 g/mol
LogP4.25
Rot. Bonds6

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

N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 15295831) has the molecular formula C21H25NOS and a molecular weight of 339.50 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID15295831
Molecular FormulaC21H25NOS
Molecular Weight339.50 g/mol
Exact Mass339.17
IUPAC NameN-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCCOc1cccc3c1SCCC3)C2
InChIInChI=1S/C21H25NOS/c1-2-7-18-15-19(14-17(18)6-1)22-11-5-12-23-20-10-3-8-16-9-4-13-24-21(16)20/h1-3,6-8,10,19,22H,4-5,9,11-15H2
InChIKeyWCHSHSRYXXXTBK-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 54.25
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

2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((4-phenylbutyl)amino)-
CID 3073939
2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((3-phenylpropyl)amino)-
CID 3073940
N-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 9841495
N-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 15295833
N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 15295834
8-((3-(Cyclohexylamino)propyl)oxy)thiochroman
CID 3028068
8-((4-(N-Ethyl-N-cyclopentylamino)butyl)oxy)thiochroman
CID 3028131
8-((3-(4-Phenylpiperidin-1-yl)propyl)oxy)thiochroman
CID 3030470
N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-4-phenylbutan-1-amine
CID 3073948
(3R)-3-[(4-fluoro-2,3-dihydro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 10450755
(3S)-3-[(4-fluoro-2,3-dihydro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 10450757
3-[(4-fluoro-2,3-dihydro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 17981916

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine (CID 15295831) is N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCCCOc1cccc3c1SCCC3)C2.
What is the InChIKey of N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is WCHSHSRYXXXTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NOS/c1-2-7-18-15-19(14-17(18)6-1)22-11-5-12-23-20-10-3-8-16-9-4-13-24-21(16)20/h1-3,6-8,10,19,22H,4-5,9,11-15H2.
What are the key properties of N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine?
N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 339.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 15295831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).