1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine

C13H17NOS — CID 102972133

IUPAC1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(C)c1sc2cc(OC)ccc2c1C
InChIInChI=1S/C13H17NOS/c1-8-11-6-5-10(15-4)7-12(11)16-13(8)9(2)14-3/h5-7,9,14H,1-4H3
InChIKeyKMWDTRIBFIKDKI-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.50
Rot. Bonds3

About 1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine

1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine (PubChem CID 102972133) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine
PubChem CID102972133
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(C)c1sc2cc(OC)ccc2c1C
InChIInChI=1S/C13H17NOS/c1-8-11-6-5-10(15-4)7-12(11)16-13(8)9(2)14-3/h5-7,9,14H,1-4H3
InChIKeyKMWDTRIBFIKDKI-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196028
(6-methoxy-3-methyl-1-benzothiophen-2-yl)urea
CID 143739797
1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 81305150
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972146
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2-chloro-5-methoxyphenyl)-N-methylethanamine
CID 84733712
(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 177382285
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
5-methoxy-2,3-dimethyl-1-benzothiophene
CID 58777526
1-(3-tert-butyl-6-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
CID 102972175

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine (CID 102972133) is 1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine is CNC(C)c1sc2cc(OC)ccc2c1C.
What is the InChIKey of 1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine?
The InChIKey is KMWDTRIBFIKDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-8-11-6-5-10(15-4)7-12(11)16-13(8)9(2)14-3/h5-7,9,14H,1-4H3.
What are the key properties of 1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine?
1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-methyl-1-benzothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 102972133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).