3-(2-aminopropyl)-1-benzothiophen-4-ol

C11H13NOS — CID 117119334

IUPAC3-(2-aminopropyl)-1-benzothiophen-4-ol
SMILESCC(N)Cc1csc2cccc(O)c12
InChIInChI=1S/C11H13NOS/c1-7(12)5-8-6-14-10-4-2-3-9(13)11(8)10/h2-4,6-7,13H,5,12H2,1H3
InChIKeyUELHUYLWUANTDB-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.50
Rot. Bonds2

About 3-(2-aminopropyl)-1-benzothiophen-4-ol

3-(2-aminopropyl)-1-benzothiophen-4-ol (PubChem CID 117119334) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 3-(2-aminopropyl)-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-(2-aminopropyl)-1-benzothiophen-4-ol
PubChem CID117119334
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name3-(2-aminopropyl)-1-benzothiophen-4-ol
SMILESCC(N)Cc1csc2cccc(O)c12
InChIInChI=1S/C11H13NOS/c1-7(12)5-8-6-14-10-4-2-3-9(13)11(8)10/h2-4,6-7,13H,5,12H2,1H3
InChIKeyUELHUYLWUANTDB-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylpiperazin-1-yl)methyl]-1-benzothiophen-4-ol
CID 117170857
3-[(2R)-2-aminopropyl]-2-bromophenol
CID 130742864
3-(2-aminopropyl)-1-propan-2-ylindol-4-ol
CID 83918695
3-[(3-chlorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170911
[4-(aminomethyl)-1-benzothiophen-3-yl]methanol
CID 117170804
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
1-(4-methyl-1-benzothiophen-3-yl)ethanamine
CID 117119248
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(4,5-dichlorothiophen-3-yl)propan-2-amine
CID 59475094
N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117184526

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-1-benzothiophen-4-ol?
The IUPAC name of 3-(2-aminopropyl)-1-benzothiophen-4-ol (CID 117119334) is 3-(2-aminopropyl)-1-benzothiophen-4-ol.
What is the SMILES notation for 3-(2-aminopropyl)-1-benzothiophen-4-ol?
The canonical SMILES for 3-(2-aminopropyl)-1-benzothiophen-4-ol is CC(N)Cc1csc2cccc(O)c12.
What is the InChIKey of 3-(2-aminopropyl)-1-benzothiophen-4-ol?
The InChIKey is UELHUYLWUANTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7(12)5-8-6-14-10-4-2-3-9(13)11(8)10/h2-4,6-7,13H,5,12H2,1H3.
What are the key properties of 3-(2-aminopropyl)-1-benzothiophen-4-ol?
3-(2-aminopropyl)-1-benzothiophen-4-ol has a molecular weight of 207.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-1-benzothiophen-4-ol is sourced from PubChem (CID 117119334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).