2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone

C15H24N2O — CID 63701271

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(C)CCN(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-12-6-7-14(13(2)10-12)15(18)11-17(5)9-8-16(3)4/h6-7,10H,8-9,11H2,1-5H3
InChIKeyWQUZAPXYCRSYEX-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.98
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone

2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone (PubChem CID 63701271) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
PubChem CID63701271
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(C)CCN(C)C)c(C)c1
InChIInChI=1S/C15H24N2O/c1-12-6-7-14(13(2)10-12)15(18)11-17(5)9-8-16(3)4/h6-7,10H,8-9,11H2,1-5H3
InChIKeyWQUZAPXYCRSYEX-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 63700393
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-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486033
2-[2-(dimethylamino)ethyl-methylamino]-1-(3,4-dimethylphenyl)ethanone
CID 63701272
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681807
2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone
CID 63699719
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63965525
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone (CID 63701271) is 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CN(C)CCN(C)C)c(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is WQUZAPXYCRSYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-7-14(13(2)10-12)15(18)11-17(5)9-8-16(3)4/h6-7,10H,8-9,11H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone?
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 63701271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).