2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol

C11H13NOS — CID 117195329

IUPAC2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol
SMILESCNC(C)c1cc2cc(O)ccc2s1
InChIInChI=1S/C11H13NOS/c1-7(12-2)11-6-8-5-9(13)3-4-10(8)14-11/h3-7,12-13H,1-2H3
InChIKeyMEFBOPJXBVFQRR-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.89
Rot. Bonds2

About 2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol

2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol (PubChem CID 117195329) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol
PubChem CID117195329
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol
SMILESCNC(C)c1cc2cc(O)ccc2s1
InChIInChI=1S/C11H13NOS/c1-7(12-2)11-6-8-5-9(13)3-4-10(8)14-11/h3-7,12-13H,1-2H3
InChIKeyMEFBOPJXBVFQRR-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine
CID 117195817
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311
1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196028
1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196817
2-[1-(methylamino)ethyl]-1-benzofuran-5-ol
CID 117195301
4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol
CID 107678990
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
2-propan-2-yl-1-benzothiophene-5-carboxylic acid
CID 84685866
N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine
CID 115718255
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796
1-[1-(methylamino)ethyl]-3H-inden-5-ol
CID 105443743

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol?
The IUPAC name of 2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol (CID 117195329) is 2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol?
The canonical SMILES for 2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol is CNC(C)c1cc2cc(O)ccc2s1.
What is the InChIKey of 2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol?
The InChIKey is MEFBOPJXBVFQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7(12-2)11-6-8-5-9(13)3-4-10(8)14-11/h3-7,12-13H,1-2H3.
What are the key properties of 2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol?
2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol has a molecular weight of 207.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol is sourced from PubChem (CID 117195329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).