ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate

C15H23NO4 — CID 64660568

IUPACethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1cc(CCN)ccc1OC
InChIInChI=1S/C15H23NO4/c1-4-12(15(17)19-5-2)20-14-10-11(8-9-16)6-7-13(14)18-3/h6-7,10,12H,4-5,8-9,16H2,1-3H3
InChIKeyAKQLUKURLZCXHQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.92
Rot. Bonds8

About ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate

ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate (PubChem CID 64660568) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
PubChem CID64660568
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
SMILESCCOC(=O)C(CC)Oc1cc(CCN)ccc1OC
InChIInChI=1S/C15H23NO4/c1-4-12(15(17)19-5-2)20-14-10-11(8-9-16)6-7-13(14)18-3/h6-7,10,12H,4-5,8-9,16H2,1-3H3
InChIKeyAKQLUKURLZCXHQ-UHFFFAOYSA-N
XLogP1.92
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
CID 64662769
ethyl 2-[2-methoxy-5-(methylaminomethyl)phenoxy]butanoate
CID 64669906
2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
CID 54930549
ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
CID 64669501
ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
CID 107700382
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[4-(2-aminoethyl)-2-chlorophenoxy]butanoic acid
CID 64661993
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate?
The IUPAC name of ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate (CID 64660568) is ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate.
What is the SMILES notation for ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate?
The canonical SMILES for ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate is CCOC(=O)C(CC)Oc1cc(CCN)ccc1OC.
What is the InChIKey of ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate?
The InChIKey is AKQLUKURLZCXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-12(15(17)19-5-2)20-14-10-11(8-9-16)6-7-13(14)18-3/h6-7,10,12H,4-5,8-9,16H2,1-3H3.
What are the key properties of ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate?
ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate has a molecular weight of 281.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate is sourced from PubChem (CID 64660568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).