N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine

C12H15NS — CID 117195817

IUPACN-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine
SMILESCNC(C)c1cc2ccc(C)cc2s1
InChIInChI=1S/C12H15NS/c1-8-4-5-10-7-11(9(2)13-3)14-12(10)6-8/h4-7,9,13H,1-3H3
InChIKeyWUSMKNALEXCZDK-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.49
Rot. Bonds2

About N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine

N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine (PubChem CID 117195817) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine
PubChem CID117195817
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine
SMILESCNC(C)c1cc2ccc(C)cc2s1
InChIInChI=1S/C12H15NS/c1-8-4-5-10-7-11(9(2)13-3)14-12(10)6-8/h4-7,9,13H,1-3H3
InChIKeyWUSMKNALEXCZDK-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196028
2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol
CID 117195329
2-N-[1-(6-methyl-1-benzothiophen-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 57135277
acetaldehyde;1-[6-[(4-ethoxyphenyl)methoxy]-1-benzothiophen-2-yl]-N-methylethanamine
CID 143982637
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796
1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196817
1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115617548
(6-methyl-1-benzothiophen-2-yl) formate
CID 142735292
N-[1-(1-benzothiophen-2-yl)ethyl]-2-methylbut-3-yn-2-amine
CID 114909916
1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852529
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81115596

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine (CID 117195817) is N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine is CNC(C)c1cc2ccc(C)cc2s1.
What is the InChIKey of N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine?
The InChIKey is WUSMKNALEXCZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8-4-5-10-7-11(9(2)13-3)14-12(10)6-8/h4-7,9,13H,1-3H3.
What are the key properties of N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine?
N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine has a molecular weight of 205.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 117195817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).