ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate

C15H23NO4 — CID 60907512

IUPACethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
SMILESCCOC(=O)COc1c(CC(C)N)cccc1OCC
InChIInChI=1S/C15H23NO4/c1-4-18-13-8-6-7-12(9-11(3)16)15(13)20-10-14(17)19-5-2/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyJJGWENLMAPJRFM-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.92
Rot. Bonds8

About ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate

ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate (PubChem CID 60907512) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
PubChem CID60907512
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
SMILESCCOC(=O)COc1c(CC(C)N)cccc1OCC
InChIInChI=1S/C15H23NO4/c1-4-18-13-8-6-7-12(9-11(3)16)15(13)20-10-14(17)19-5-2/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyJJGWENLMAPJRFM-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

1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66040201
1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine
CID 79173898
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
CID 54939238
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate
CID 170892106
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489248
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
1-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60906821
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate (CID 60907512) is ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate is CCOC(=O)COc1c(CC(C)N)cccc1OCC.
What is the InChIKey of ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate?
The InChIKey is JJGWENLMAPJRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-18-13-8-6-7-12(9-11(3)16)15(13)20-10-14(17)19-5-2/h6-8,11H,4-5,9-10,16H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate?
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate 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-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate is sourced from PubChem (CID 60907512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).