ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate

C15H23NO3 — CID 115494998

IUPACethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
SMILESCCNC(C)Cc1ccc(OCC(=O)OCC)cc1
InChIInChI=1S/C15H23NO3/c1-4-16-12(3)10-13-6-8-14(9-7-13)19-11-15(17)18-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyIAOFEYLJVVNVRX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.17
Rot. Bonds8

About ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate

ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate (PubChem CID 115494998) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
PubChem CID115494998
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
SMILESCCNC(C)Cc1ccc(OCC(=O)OCC)cc1
InChIInChI=1S/C15H23NO3/c1-4-16-12(3)10-13-6-8-14(9-7-13)19-11-15(17)18-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyIAOFEYLJVVNVRX-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
CID 115495042
ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate
CID 14579356
ethyl 2-[4-[(2R)-2-[[(6R)-6-ethyl-1-hydroxycyclohexa-2,4-dien-1-yl]amino]propyl]phenoxy]acetate
CID 67933158
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
ethyl 2-[4-[2-[bis(ethylamino)methylideneamino]ethyl]phenoxy]acetate
CID 111465812
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
benzyl (2S)-2-amino-3-[4-(2-ethoxy-2-oxoethoxy)phenyl]propanoate
CID 139716314

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate (CID 115494998) is ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate is CCNC(C)Cc1ccc(OCC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate?
The InChIKey is IAOFEYLJVVNVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16-12(3)10-13-6-8-14(9-7-13)19-11-15(17)18-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate?
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate is sourced from PubChem (CID 115494998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).