2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide

C13H20N2O2 — CID 55203033

IUPAC2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(C)cc1CCN
InChIInChI=1S/C13H20N2O2/c1-3-15-13(16)9-17-12-5-4-10(2)8-11(12)6-7-14/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyWTSWJLUGDIKABG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.01
Rot. Bonds6

About 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide

2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide (PubChem CID 55203033) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide
PubChem CID55203033
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(C)cc1CCN
InChIInChI=1S/C13H20N2O2/c1-3-15-13(16)9-17-12-5-4-10(2)8-11(12)6-7-14/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyWTSWJLUGDIKABG-UHFFFAOYSA-N
XLogP1.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide
CID 63325796
2-[2-(aminomethyl)-4-methylphenoxy]-N-propylacetamide
CID 63322563
2-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 63325800
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 63326313
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
CID 63326072
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
CID 63326256
N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide
CID 107695692
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 61487161
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
CID 63058398

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide (CID 55203033) is 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(C)cc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide?
The InChIKey is WTSWJLUGDIKABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-13(16)9-17-12-5-4-10(2)8-11(12)6-7-14/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide?
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide is sourced from PubChem (CID 55203033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).