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

C12H15NOS — CID 105009029

IUPAC1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
SMILESCNC(COC)c1cc2ccccc2s1
InChIInChI=1S/C12H15NOS/c1-13-10(8-14-2)12-7-9-5-3-4-6-11(9)15-12/h3-7,10,13H,8H2,1-2H3
InChIKeyGGFTZJKWQKKBLZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.81
Rot. Bonds4

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

1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine (PubChem CID 105009029) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
PubChem CID105009029
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
SMILESCNC(COC)c1cc2ccccc2s1
InChIInChI=1S/C12H15NOS/c1-13-10(8-14-2)12-7-9-5-3-4-6-11(9)15-12/h3-7,10,13H,8H2,1-2H3
InChIKeyGGFTZJKWQKKBLZ-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800832
1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 63527021
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
2-(dimethoxymethyl)-1-benzothiophene
CID 119086272
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810512
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
CID 115854470
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128
1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 105055088
1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
CID 114013577
1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine (CID 105009029) is 1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine is CNC(COC)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine?
The InChIKey is GGFTZJKWQKKBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-13-10(8-14-2)12-7-9-5-3-4-6-11(9)15-12/h3-7,10,13H,8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine?
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine has a molecular weight of 221.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 105009029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).