1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone

C14H22N2O — CID 123268766

IUPAC1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone
SMILESCCN(CCN(C)C)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H22N2O/c1-5-16(11-10-15(3)4)14-8-6-13(7-9-14)12(2)17/h6-9H,5,10-11H2,1-4H3
InChIKeyZEVRZYOYMVJSQN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.28
Rot. Bonds6

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

1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone (PubChem CID 123268766) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone
PubChem CID123268766
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone
SMILESCCN(CCN(C)C)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H22N2O/c1-5-16(11-10-15(3)4)14-8-6-13(7-9-14)12(2)17/h6-9H,5,10-11H2,1-4H3
InChIKeyZEVRZYOYMVJSQN-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 61446564
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
3-[4-acetyl-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319957
N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide
CID 56525325
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
CID 167448036
CID 167448036
(E)-2-cyano-3-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]but-2-enamide;3-methylbutan-1-ol
CID 153371359
1-[4-(dimethylamino)phenyl]ethanone;pentan-3-one
CID 161487029
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
bis[4-[decyl(ethyl)amino]phenyl]methanone
CID 150764383
1-[4-[[4-[ethyl(methyl)amino]phenyl]diazenyl]phenyl]ethanone
CID 3287675
1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216748

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone (CID 123268766) is 1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone is CCN(CCN(C)C)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone?
The InChIKey is ZEVRZYOYMVJSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-16(11-10-15(3)4)14-8-6-13(7-9-14)12(2)17/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone?
1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone has a molecular weight of 234.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone is sourced from PubChem (CID 123268766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).