2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol

C17H25NOS — CID 821752

IUPAC2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1csc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H25NOS/c1-5-18(8-9-19)11-13-12-20-16-7-6-14(10-15(13)16)17(2,3)4/h6-7,10,12,19H,5,8-9,11H2,1-4H3
InChIKeyWYIMISUFHIJOTF-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.01
Rot. Bonds5

About 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol

2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol (PubChem CID 821752) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol
PubChem CID821752
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1csc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C17H25NOS/c1-5-18(8-9-19)11-13-12-20-16-7-6-14(10-15(13)16)17(2,3)4/h6-7,10,12,19H,5,8-9,11H2,1-4H3
InChIKeyWYIMISUFHIJOTF-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15945609
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CID 23723146
CID 23723146
CID 23788
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CID 204558
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CID 205148
CID 205148
CID 205150
CID 205150
CID 205152
CID 205152

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol (CID 821752) is 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol is CCN(CCO)Cc1csc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol?
The InChIKey is WYIMISUFHIJOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-5-18(8-9-19)11-13-12-20-16-7-6-14(10-15(13)16)17(2,3)4/h6-7,10,12,19H,5,8-9,11H2,1-4H3.
What are the key properties of 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol?
2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol has a molecular weight of 291.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol is sourced from PubChem (CID 821752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).