1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol

C14H19NOS — CID 113429047

IUPAC1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
SMILESCCC(O)CNC(C)c1cc2ccccc2s1
InChIInChI=1S/C14H19NOS/c1-3-12(16)9-15-10(2)14-8-11-6-4-5-7-13(11)17-14/h4-8,10,12,15-16H,3,9H2,1-2H3
InChIKeyCAYHRXBMVKEHHY-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.32
Rot. Bonds5

About 1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol

1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol (PubChem CID 113429047) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
PubChem CID113429047
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
SMILESCCC(O)CNC(C)c1cc2ccccc2s1
InChIInChI=1S/C14H19NOS/c1-3-12(16)9-15-10(2)14-8-11-6-4-5-7-13(11)17-14/h4-8,10,12,15-16H,3,9H2,1-2H3
InChIKeyCAYHRXBMVKEHHY-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 114910004
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
CID 104579334
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
N-[1-(1-benzothiophen-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 102613455
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
3-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]-1,1-dimethylurea
CID 114910040
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115617548

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol?
The IUPAC name of 1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol (CID 113429047) is 1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol?
The canonical SMILES for 1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol is CCC(O)CNC(C)c1cc2ccccc2s1.
What is the InChIKey of 1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol?
The InChIKey is CAYHRXBMVKEHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-3-12(16)9-15-10(2)14-8-11-6-4-5-7-13(11)17-14/h4-8,10,12,15-16H,3,9H2,1-2H3.
What are the key properties of 1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol?
1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol has a molecular weight of 249.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 113429047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).