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

C17H24N2S — CID 10039780

IUPAC2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
SMILESCc1ccsc1C(Cc1ccccc1N(C)C)N(C)C
InChIInChI=1S/C17H24N2S/c1-13-10-11-20-17(13)16(19(4)5)12-14-8-6-7-9-15(14)18(2)3/h6-11,16H,12H2,1-5H3
InChIKeyJHWYBQOJPBQFAX-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.97
Rot. Bonds5

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

2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline (PubChem CID 10039780) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
PubChem CID10039780
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
SMILESCc1ccsc1C(Cc1ccccc1N(C)C)N(C)C
InChIInChI=1S/C17H24N2S/c1-13-10-11-20-17(13)16(19(4)5)12-14-8-6-7-9-15(14)18(2)3/h6-11,16H,12H2,1-5H3
InChIKeyJHWYBQOJPBQFAX-UHFFFAOYSA-N
XLogP3.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
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,N-dimethylaniline?
The IUPAC name of 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline (CID 10039780) is 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline is Cc1ccsc1C(Cc1ccccc1N(C)C)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline?
The InChIKey is JHWYBQOJPBQFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13-10-11-20-17(13)16(19(4)5)12-14-8-6-7-9-15(14)18(2)3/h6-11,16H,12H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline?
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline has a molecular weight of 288.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 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,N-dimethylaniline is sourced from PubChem (CID 10039780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).