2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide

C15H24N2O2 — CID 43505060

IUPAC2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(C)cc1C(C)N
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)10-19-14-8-7-11(3)9-13(14)12(4)16/h7-9,12H,5-6,10,16H2,1-4H3
InChIKeyAENILMMAFWHGAU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.26
Rot. Bonds6

About 2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide

2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide (PubChem CID 43505060) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
PubChem CID43505060
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(C)cc1C(C)N
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)10-19-14-8-7-11(3)9-13(14)12(4)16/h7-9,12H,5-6,10,16H2,1-4H3
InChIKeyAENILMMAFWHGAU-UHFFFAOYSA-N
XLogP2.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
CID 55188481
N,N-diethyl-2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]acetamide
CID 78947011
1-[5-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60889792
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238
ethyl 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78936226
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
CID 55190440
3-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-2,2-dimethylpropanoic acid
CID 79629896
3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-2,2-dimethylpropanoic acid
CID 79630091
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 43505039

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide (CID 43505060) is 2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(C)cc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide?
The InChIKey is AENILMMAFWHGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)10-19-14-8-7-11(3)9-13(14)12(4)16/h7-9,12H,5-6,10,16H2,1-4H3.
What are the key properties of 2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide?
2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide has a molecular weight of 264.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 43505060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).