2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline

C16H22N2S — CID 10061927

IUPAC2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline
SMILESCNc1ccccc1CC(c1sccc1C)N(C)C
InChIInChI=1S/C16H22N2S/c1-12-9-10-19-16(12)15(18(3)4)11-13-7-5-6-8-14(13)17-2/h5-10,15,17H,11H2,1-4H3
InChIKeyCSGRUBUTNNAYGE-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.94
Rot. Bonds5

About 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline

2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline (PubChem CID 10061927) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline
PubChem CID10061927
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline
SMILESCNc1ccccc1CC(c1sccc1C)N(C)C
InChIInChI=1S/C16H22N2S/c1-12-9-10-19-16(12)15(18(3)4)11-13-7-5-6-8-14(13)17-2/h5-10,15,17H,11H2,1-4H3
InChIKeyCSGRUBUTNNAYGE-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline?
The IUPAC name of 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline (CID 10061927) is 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline?
The canonical SMILES for 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline is CNc1ccccc1CC(c1sccc1C)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline?
The InChIKey is CSGRUBUTNNAYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-9-10-19-16(12)15(18(3)4)11-13-7-5-6-8-14(13)17-2/h5-10,15,17H,11H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline?
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline has a molecular weight of 274.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline is sourced from PubChem (CID 10061927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).