2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol

C14H19NOS — CID 81146897

IUPAC2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol
SMILESCCNCCC(C)(O)c1cccc2ccsc12
InChIInChI=1S/C14H19NOS/c1-3-15-9-8-14(2,16)12-6-4-5-11-7-10-17-13(11)12/h4-7,10,15-16H,3,8-9H2,1-2H3
InChIKeyUCGQPEMNKPQCHW-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.11
Rot. Bonds5

About 2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol

2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol (PubChem CID 81146897) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol
PubChem CID81146897
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol
SMILESCCNCCC(C)(O)c1cccc2ccsc12
InChIInChI=1S/C14H19NOS/c1-3-15-9-8-14(2,16)12-6-4-5-11-7-10-17-13(11)12/h4-7,10,15-16H,3,8-9H2,1-2H3
InChIKeyUCGQPEMNKPQCHW-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzothiophen-7-yl)-4-(propan-2-ylamino)butan-2-ol
CID 81147025
2-(1-benzothiophen-7-yl)hex-5-en-2-ol
CID 104656329
2-(1-benzothiophen-7-yl)-1-(2-methoxyethylamino)propan-2-ol
CID 81148071
4-(ethylamino)-2-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 82811754
1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol
CID 81141940
1-(1-benzothiophen-7-yl)-1-(1-methylcyclopropyl)ethanol
CID 81142610
4-(1-benzothiophen-7-yl)-4-methylpentan-2-one
CID 81147382
2-(1-benzothiophen-7-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 90050385
4-(2-methylpropylamino)-2-quinolin-8-ylbutan-2-ol
CID 81221214
3-amino-2-(1-benzothiophen-7-yl)-1,1,1-trifluoropentan-2-ol
CID 81147632
1-(1-benzothiophen-7-yl)-1-phenylpropan-1-amine
CID 81154177
2-(1-benzothiophen-7-yl)-1-methoxy-3-methylbutan-2-ol
CID 81142684

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol?
The IUPAC name of 2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol (CID 81146897) is 2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol.
What is the SMILES notation for 2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol?
The canonical SMILES for 2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol is CCNCCC(C)(O)c1cccc2ccsc12.
What is the InChIKey of 2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol?
The InChIKey is UCGQPEMNKPQCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-3-15-9-8-14(2,16)12-6-4-5-11-7-10-17-13(11)12/h4-7,10,15-16H,3,8-9H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol?
2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol has a molecular weight of 249.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-7-yl)-4-(ethylamino)butan-2-ol is sourced from PubChem (CID 81146897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).