1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol

C15H17NOS — CID 107682339

IUPAC1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
SMILESCC(NC1CCc2cc(O)ccc21)c1ccsc1
InChIInChI=1S/C15H17NOS/c1-10(12-6-7-18-9-12)16-15-5-2-11-8-13(17)3-4-14(11)15/h3-4,6-10,15-17H,2,5H2,1H3
InChIKeyPHYYDLMCTUIMON-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.79
Rot. Bonds3

About 1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol

1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682339) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682339
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
SMILESCC(NC1CCc2cc(O)ccc21)c1ccsc1
InChIInChI=1S/C15H17NOS/c1-10(12-6-7-18-9-12)16-15-5-2-11-8-13(17)3-4-14(11)15/h3-4,6-10,15-17H,2,5H2,1H3
InChIKeyPHYYDLMCTUIMON-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62840280
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682182
5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81347712
4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 103901794
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81382181
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320
1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107862522
N-(1-thiophen-3-ylethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 62841161
1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 106348642
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681780
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol (CID 107682339) is 1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol is CC(NC1CCc2cc(O)ccc21)c1ccsc1.
What is the InChIKey of 1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is PHYYDLMCTUIMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10(12-6-7-18-9-12)16-15-5-2-11-8-13(17)3-4-14(11)15/h3-4,6-10,15-17H,2,5H2,1H3.
What are the key properties of 1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol?
1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 259.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).