2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone

C13H20N2O2 — CID 82101862

IUPAC2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNCCN(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-15(2)9-8-14-10-13(16)11-4-6-12(17-3)7-5-11/h4-7,14H,8-10H2,1-3H3
InChIKeyZBKWGTATRLZEHV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.03
Rot. Bonds7

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

2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone (PubChem CID 82101862) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
PubChem CID82101862
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNCCN(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-15(2)9-8-14-10-13(16)11-4-6-12(17-3)7-5-11/h4-7,14H,8-10H2,1-3H3
InChIKeyZBKWGTATRLZEHV-UHFFFAOYSA-N
XLogP1.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
2-[2-(4-methoxyphenoxy)ethylamino]-1-(4-methylphenyl)ethanone
CID 82101214
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82104490
1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82102048
1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82101484
2-[[1-(dimethylamino)cyclohexyl]methylamino]-1-(4-methoxyphenyl)ethanone
CID 110825746
1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82101452
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone (CID 82101862) is 2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CNCCN(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone?
The InChIKey is ZBKWGTATRLZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(2)9-8-14-10-13(16)11-4-6-12(17-3)7-5-11/h4-7,14H,8-10H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone?
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 82101862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).