1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine

C13H17NO2S — CID 114378405

IUPAC1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sc2c(OC)cccc2c1COC
InChIInChI=1S/C13H17NO2S/c1-14-7-12-10(8-15-2)9-5-4-6-11(16-3)13(9)17-12/h4-6,14H,7-8H2,1-3H3
InChIKeyQACLRVQKXASYPB-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.78
Rot. Bonds5

About 1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine

1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine (PubChem CID 114378405) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
PubChem CID114378405
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sc2c(OC)cccc2c1COC
InChIInChI=1S/C13H17NO2S/c1-14-7-12-10(8-15-2)9-5-4-6-11(16-3)13(9)17-12/h4-6,14H,7-8H2,1-3H3
InChIKeyQACLRVQKXASYPB-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
CID 104843379
1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62445616
N-[(7-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 114378379
N-[[7-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114378380
N-[[7-bromo-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114378246
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
N-[(7-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 81049134
1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366048
1-[5,6-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378304
1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378104
3-(2-aminoethyl)-7-methoxy-1-benzothiophene-2-carbonitrile;hydrochloride
CID 135379879
1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366065

Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine (CID 114378405) is 1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine is CNCc1sc2c(OC)cccc2c1COC.
What is the InChIKey of 1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
The InChIKey is QACLRVQKXASYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-14-7-12-10(8-15-2)9-5-4-6-11(16-3)13(9)17-12/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine has a molecular weight of 251.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114378405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).