2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one

C15H24N2O2 — CID 82100821

IUPAC2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)NCCN(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-5-19-14-8-6-13(7-9-14)15(18)12(2)16-10-11-17(3)4/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeySXXGRQYOVWUMSS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.81
Rot. Bonds8

About 2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one

2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one (PubChem CID 82100821) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one
PubChem CID82100821
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)NCCN(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-5-19-14-8-6-13(7-9-14)15(18)12(2)16-10-11-17(3)4/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeySXXGRQYOVWUMSS-UHFFFAOYSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100899
2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one
CID 82100482
1-(4-ethoxyphenyl)-2-(2-methylpropylamino)propan-1-one
CID 82100788
1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one
CID 82100798
2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 82100852
2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one
CID 82100823
2,5-bis[(dimethylamino)methyl]-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione
CID 3705952
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
1-(4-ethoxyphenyl)-3-methyl-2-(methylamino)butan-1-one
CID 112512233
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)propan-1-one
CID 82100764
4-(4-ethoxyphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414442

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one (CID 82100821) is 2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one is CCOc1ccc(C(=O)C(C)NCCN(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one?
The InChIKey is SXXGRQYOVWUMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-19-14-8-6-13(7-9-14)15(18)12(2)16-10-11-17(3)4/h6-9,12,16H,5,10-11H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one?
2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.81, 8 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-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 82100821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).