3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol

C15H17NOS — CID 107089609

IUPAC3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(CCc2cccs2)c2ccccc21
InChIInChI=1S/C15H17NOS/c16-14-10-15(17,8-7-11-4-3-9-18-11)13-6-2-1-5-12(13)14/h1-6,9,14,17H,7-8,10,16H2
InChIKeyXJAJWTWKDLRNQS-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.97
Rot. Bonds3

About 3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol

3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol (PubChem CID 107089609) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol
PubChem CID107089609
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(CCc2cccs2)c2ccccc21
InChIInChI=1S/C15H17NOS/c16-14-10-15(17,8-7-11-4-3-9-18-11)13-6-2-1-5-12(13)14/h1-6,9,14,17H,7-8,10,16H2
InChIKeyXJAJWTWKDLRNQS-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
CID 65153793
2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020002
2-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 122081892
2-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66036104
1-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63774974
N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63775029
1-(3-thiophen-2-ylpropyl)cyclopropan-1-amine
CID 83906553
CID 59269201
CID 59269201
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-thiophen-2-ylpropan-1-one
CID 64982101
2-propyl-1-(thiophen-2-ylmethyl)cyclopropan-1-ol
CID 79332130
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol
CID 63773868
1-[1-(2-thiophen-2-ylethyl)cyclopropyl]ethanol
CID 106798156

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol (CID 107089609) is 3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol is NC1CC(O)(CCc2cccs2)c2ccccc21.
What is the InChIKey of 3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol?
The InChIKey is XJAJWTWKDLRNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c16-14-10-15(17,8-7-11-4-3-9-18-11)13-6-2-1-5-12(13)14/h1-6,9,14,17H,7-8,10,16H2.
What are the key properties of 3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol?
3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol has a molecular weight of 259.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).