1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol

C14H19NOS — CID 81146470

IUPAC1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NCC(O)c1cccc2ccsc12
InChIInChI=1S/C14H19NOS/c1-14(2,3)15-9-12(16)11-6-4-5-10-7-8-17-13(10)11/h4-8,12,15-16H,9H2,1-3H3
InChIKeyFWGUFDMQYCVAJX-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.32
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol

1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol (PubChem CID 81146470) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
PubChem CID81146470
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
SMILESCC(C)(C)NCC(O)c1cccc2ccsc12
InChIInChI=1S/C14H19NOS/c1-14(2,3)15-9-12(16)11-6-4-5-10-7-8-17-13(10)11/h4-8,12,15-16H,9H2,1-3H3
InChIKeyFWGUFDMQYCVAJX-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol
CID 81146469
1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864
7-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-3H-1,3-benzothiazol-2-one
CID 165375989
1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol
CID 81152861
1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
CID 105119163
[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226376
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
1-(1-benzothiophen-7-ylamino)propan-2-ol
CID 131140520
1-(1-benzothiophen-7-yl)-2-phenoxyethanol
CID 81152772
1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol (CID 81146470) is 1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol is CC(C)(C)NCC(O)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol?
The InChIKey is FWGUFDMQYCVAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-14(2,3)15-9-12(16)11-6-4-5-10-7-8-17-13(10)11/h4-8,12,15-16H,9H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol?
1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol has a molecular weight of 249.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol is sourced from PubChem (CID 81146470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).