1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine

C12H15NOS — CID 117196028

IUPAC1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2ccc(OC)cc2s1
InChIInChI=1S/C12H15NOS/c1-8(13-2)11-6-9-4-5-10(14-3)7-12(9)15-11/h4-8,13H,1-3H3
InChIKeyHTVRXOYALWQGOE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.19
Rot. Bonds3

About 1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine

1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine (PubChem CID 117196028) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
PubChem CID117196028
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2ccc(OC)cc2s1
InChIInChI=1S/C12H15NOS/c1-8(13-2)11-6-9-4-5-10(14-3)7-12(9)15-11/h4-8,13H,1-3H3
InChIKeyHTVRXOYALWQGOE-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine
CID 117195817
acetaldehyde;1-[6-[(4-ethoxyphenyl)methoxy]-1-benzothiophen-2-yl]-N-methylethanamine
CID 143982637
N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline
CID 114909636
1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine
CID 102972133
N-[1-(1-benzothiophen-2-yl)ethyl]-2-fluoro-5-methoxyaniline
CID 114909985
2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol
CID 117195329
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
4-(6-methoxy-1-benzothiophen-2-yl)-N-methylaniline
CID 46947162
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene
CID 19002831

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine (CID 117196028) is 1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine is CNC(C)c1cc2ccc(OC)cc2s1.
What is the InChIKey of 1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine?
The InChIKey is HTVRXOYALWQGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8(13-2)11-6-9-4-5-10(14-3)7-12(9)15-11/h4-8,13H,1-3H3.
What are the key properties of 1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine?
1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 117196028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).