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

C12H15NOS — CID 62445616

IUPAC1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sc2ccccc2c1COC
InChIInChI=1S/C12H15NOS/c1-13-7-12-10(8-14-2)9-5-3-4-6-11(9)15-12/h3-6,13H,7-8H2,1-2H3
InChIKeyLSNGYJVOZCQDOL-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.77
Rot. Bonds4

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

1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine (PubChem CID 62445616) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
PubChem CID62445616
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sc2ccccc2c1COC
InChIInChI=1S/C12H15NOS/c1-13-7-12-10(8-14-2)9-5-3-4-6-11(9)15-12/h3-6,13H,7-8H2,1-2H3
InChIKeyLSNGYJVOZCQDOL-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378405
N-ethyl-2-methoxy-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]ethanamine
CID 62436475
1-[5,6-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378304
N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62456910
N,N,N'-trimethyl-N'-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]ethane-1,2-diamine
CID 63701253
N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 62418648
1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine
CID 114378025
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62427654
1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine
CID 63654913
N-[[3-(propoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62451509
N-[[3-[2-(dimethylamino)ethoxymethyl]-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 62459638
N-[[3-(pentoxymethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 62450074

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine (CID 62445616) is 1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine is CNCc1sc2ccccc2c1COC.
What is the InChIKey of 1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
The InChIKey is LSNGYJVOZCQDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-13-7-12-10(8-14-2)9-5-3-4-6-11(9)15-12/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine has a molecular weight of 221.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62445616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).