1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

C12H15NOS2 — CID 81126556

IUPAC1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)c1sccc1OC
InChIInChI=1S/C12H15NOS2/c1-8-4-5-10(16-8)11(13-2)12-9(14-3)6-7-15-12/h4-7,11,13H,1-3H3
InChIKeyGYKMNIDRVUFOHH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.44
Rot. Bonds4

About 1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 81126556) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
PubChem CID81126556
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC Name1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)c1sccc1OC
InChIInChI=1S/C12H15NOS2/c1-8-4-5-10(16-8)11(13-2)12-9(14-3)6-7-15-12/h4-7,11,13H,1-3H3
InChIKeyGYKMNIDRVUFOHH-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (CID 81126556) is 1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is CNC(c1ccc(C)s1)c1sccc1OC.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is GYKMNIDRVUFOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS2/c1-8-4-5-10(16-8)11(13-2)12-9(14-3)6-7-15-12/h4-7,11,13H,1-3H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 253.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 81126556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).