ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate

C15H23NO3 — CID 112614882

IUPACethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1c(C)cccc1CCN
InChIInChI=1S/C15H23NO3/c1-4-13(15(17)18-5-2)19-14-11(3)7-6-8-12(14)9-10-16/h6-8,13H,4-5,9-10,16H2,1-3H3
InChIKeyDIXAWHJVWCHLHA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds7

About ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate

ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate (PubChem CID 112614882) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
PubChem CID112614882
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1c(C)cccc1CCN
InChIInChI=1S/C15H23NO3/c1-4-13(15(17)18-5-2)19-14-11(3)7-6-8-12(14)9-10-16/h6-8,13H,4-5,9-10,16H2,1-3H3
InChIKeyDIXAWHJVWCHLHA-UHFFFAOYSA-N
XLogP2.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
CID 125470264
2-[2-(2-aminoethyl)-6-methylphenoxy]pentanoic acid
CID 112614810
ethyl 2-[2-(2-aminopropyl)-6-methylphenoxy]butanoate
CID 115958127
ethyl 2-[2-(2-aminobutyl)-6-methylphenoxy]butanoate
CID 115958262
ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
CID 115957916
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid
CID 64660569
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
CID 115957613
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112614872
ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
CID 107700382
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
CID 115957606
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-cyclopentylpropanamide
CID 115957684
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate?
The IUPAC name of ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate (CID 112614882) is ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate.
What is the SMILES notation for ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate?
The canonical SMILES for ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate is CCOC(=O)C(CC)Oc1c(C)cccc1CCN.
What is the InChIKey of ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate?
The InChIKey is DIXAWHJVWCHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-13(15(17)18-5-2)19-14-11(3)7-6-8-12(14)9-10-16/h6-8,13H,4-5,9-10,16H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate?
ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate is sourced from PubChem (CID 112614882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).