1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone

C17H21NOS — CID 79486033

IUPAC1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CCc2cccs2)c(C)c1
InChIInChI=1S/C17H21NOS/c1-13-6-7-16(14(2)11-13)17(19)12-18(3)9-8-15-5-4-10-20-15/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyNUVAYYGIVQDHNO-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.72
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone

1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone (PubChem CID 79486033) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
PubChem CID79486033
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CCc2cccs2)c(C)c1
InChIInChI=1S/C17H21NOS/c1-13-6-7-16(14(2)11-13)17(19)12-18(3)9-8-15-5-4-10-20-15/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyNUVAYYGIVQDHNO-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485875
1-(2,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488668
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
4-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 79487821
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105
1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237487
1-(5-ethylthiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485722
1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486262
4-fluoro-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 107908041

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone (CID 79486033) is 1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone is Cc1ccc(C(=O)CN(C)CCc2cccs2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone?
The InChIKey is NUVAYYGIVQDHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13-6-7-16(14(2)11-13)17(19)12-18(3)9-8-15-5-4-10-20-15/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone?
1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone has a molecular weight of 287.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone is sourced from PubChem (CID 79486033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).