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

C15H24N2O — CID 63699353

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN(C)CCN(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-5-13-6-8-14(9-7-13)15(18)12-17(4)11-10-16(2)3/h6-9H,5,10-12H2,1-4H3
InChIKeyWEOBUAUCLAHVPS-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.93
Rot. Bonds7

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

2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone (PubChem CID 63699353) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone
PubChem CID63699353
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN(C)CCN(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-5-13-6-8-14(9-7-13)15(18)12-17(4)11-10-16(2)3/h6-9H,5,10-12H2,1-4H3
InChIKeyWEOBUAUCLAHVPS-UHFFFAOYSA-N
XLogP1.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone
CID 60649844
1-(4-ethylphenyl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008573
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-nitrophenyl)ethanone
CID 63700749
2-[2-(dimethylamino)ethyl-methylamino]-1-(3,4-dimethylphenyl)ethanone
CID 63701272
1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795614
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910
2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone
CID 112661909
2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 55225801
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
CID 43795468
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
3-(dimethylamino)-1-(4-ethylphenyl)prop-2-yn-1-one
CID 116825429
2-[butyl-[2-(4-ethylphenyl)-2-oxoethyl]amino]acetamide
CID 62052887

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone (CID 63699353) is 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)CN(C)CCN(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone?
The InChIKey is WEOBUAUCLAHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-13-6-8-14(9-7-13)15(18)12-17(4)11-10-16(2)3/h6-9H,5,10-12H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone?
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 1.93, 7 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-(4-ethylphenyl)ethanone is sourced from PubChem (CID 63699353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).