2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol

C10H13NOS — CID 81302336

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
SMILESOCCNC1CSc2ccccc21
InChIInChI=1S/C10H13NOS/c12-6-5-11-9-7-13-10-4-2-1-3-8(9)10/h1-4,9,11-12H,5-7H2
InChIKeyXBGYSXJBRFQADU-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.42
Rot. Bonds3

About 2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol

2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol (PubChem CID 81302336) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
PubChem CID81302336
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
SMILESOCCNC1CSc2ccccc21
InChIInChI=1S/C10H13NOS/c12-6-5-11-9-7-13-10-4-2-1-3-8(9)10/h1-4,9,11-12H,5-7H2
InChIKeyXBGYSXJBRFQADU-UHFFFAOYSA-N
XLogP1.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
CID 81345434
[1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol
CID 112551302
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 81300721
N-(thian-4-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115719938
1-(2,3-dihydro-1-benzothiophen-3-ylamino)-4,4-dimethylpentan-2-ol
CID 103784431
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81300282
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968
N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81301169
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 106395267
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-N,2,2-trimethylpropanamide
CID 113424278
N-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115732522
N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345629

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol (CID 81302336) is 2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol is OCCNC1CSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol?
The InChIKey is XBGYSXJBRFQADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-6-5-11-9-7-13-10-4-2-1-3-8(9)10/h1-4,9,11-12H,5-7H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol?
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol has a molecular weight of 195.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol is sourced from PubChem (CID 81302336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).