6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine

C17H21NOS — CID 79367328

IUPAC6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCC(NC1CCc2ccc(OC)cc21)c1cccs1
InChIInChI=1S/C17H21NOS/c1-3-15(17-5-4-10-20-17)18-16-9-7-12-6-8-13(19-2)11-14(12)16/h4-6,8,10-11,15-16,18H,3,7,9H2,1-2H3
InChIKeyJSDSXBPJRXXNIV-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.48
Rot. Bonds5

About 6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79367328) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79367328
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCC(NC1CCc2ccc(OC)cc21)c1cccs1
InChIInChI=1S/C17H21NOS/c1-3-15(17-5-4-10-20-17)18-16-9-7-12-6-8-13(19-2)11-14(12)16/h4-6,8,10-11,15-16,18H,3,7,9H2,1-2H3
InChIKeyJSDSXBPJRXXNIV-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81398619
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43110218
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
6-methoxy-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79367119
N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366850
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366506
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81363584

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine (CID 79367328) is 6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine is CCC(NC1CCc2ccc(OC)cc21)c1cccs1.
What is the InChIKey of 6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JSDSXBPJRXXNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-15(17-5-4-10-20-17)18-16-9-7-12-6-8-13(19-2)11-14(12)16/h4-6,8,10-11,15-16,18H,3,7,9H2,1-2H3.
What are the key properties of 6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 287.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-thiophen-2-ylpropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79367328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).