2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone

C11H16N2O — CID 55296835

IUPAC2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone
SMILESCNc1ccc(C(=O)CN(C)C)cc1
InChIInChI=1S/C11H16N2O/c1-12-10-6-4-9(5-7-10)11(14)8-13(2)3/h4-7,12H,8H2,1-3H3
InChIKeyKEJJITVKHYWXEK-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.47
Rot. Bonds4

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

2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone (PubChem CID 55296835) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone
PubChem CID55296835
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone
SMILESCNc1ccc(C(=O)CN(C)C)cc1
InChIInChI=1S/C11H16N2O/c1-12-10-6-4-9(5-7-10)11(14)8-13(2)3/h4-7,12H,8H2,1-3H3
InChIKeyKEJJITVKHYWXEK-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
CID 170896135
1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one
CID 21490372
3-[4-(methylamino)phenyl]-3-oxopropanenitrile
CID 156767557
2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide
CID 170896427
2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
CID 170896030
2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
[4-(methylamino)benzoyl]oxidanium
CID 20625574
1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione
CID 170895995
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994
N-methyl-4-(methylamino)-N-propan-2-ylbenzamide
CID 62166180
N-methoxy-N-methyl-4-(methylamino)benzamide
CID 130666687

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone (CID 55296835) is 2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone is CNc1ccc(C(=O)CN(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone?
The InChIKey is KEJJITVKHYWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-10-6-4-9(5-7-10)11(14)8-13(2)3/h4-7,12H,8H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone?
2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone has a molecular weight of 192.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone is sourced from PubChem (CID 55296835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).