1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol

C14H19NOS — CID 62773751

IUPAC1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)c1csc2ccccc12
InChIInChI=1S/C14H19NOS/c1-10(2)7-15-8-13(16)12-9-17-14-6-4-3-5-11(12)14/h3-6,9-10,13,15-16H,7-8H2,1-2H3
InChIKeyCZCLRAAPQCTVGI-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.18
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol

1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol (PubChem CID 62773751) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol
PubChem CID62773751
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)c1csc2ccccc12
InChIInChI=1S/C14H19NOS/c1-10(2)7-15-8-13(16)12-9-17-14-6-4-3-5-11(12)14/h3-6,9-10,13,15-16H,7-8H2,1-2H3
InChIKeyCZCLRAAPQCTVGI-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
3-(1-benzothiophen-3-yl)-3-hydroxypropanal
CID 114795243
methyl (3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoate
CID 102175267
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
1-(1-benzothiophen-3-yl)-3-sulfanylpropan-1-ol
CID 116831065
(3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
CID 94550405
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
[2-[[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]amino]-2-oxoethyl] acetate
CID 91630866
N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide
CID 121179642
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol (CID 62773751) is 1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol is CC(C)CNCC(O)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol?
The InChIKey is CZCLRAAPQCTVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-10(2)7-15-8-13(16)12-9-17-14-6-4-3-5-11(12)14/h3-6,9-10,13,15-16H,7-8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol?
1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol has a molecular weight of 249.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 62773751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).