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

C12H17NO3 — CID 69220443

IUPACethyl 2-[4-(ethylamino)phenoxy]acetate
SMILESCCNc1ccc(OCC(=O)OCC)cc1
InChIInChI=1S/C12H17NO3/c1-3-13-10-5-7-11(8-6-10)16-9-12(14)15-4-2/h5-8,13H,3-4,9H2,1-2H3
InChIKeyGAERQUKLLCMCAY-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.06
Rot. Bonds6

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

ethyl 2-[4-(ethylamino)phenoxy]acetate (PubChem CID 69220443) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 2-[4-(ethylamino)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(ethylamino)phenoxy]acetate
PubChem CID69220443
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 2-[4-(ethylamino)phenoxy]acetate
SMILESCCNc1ccc(OCC(=O)OCC)cc1
InChIInChI=1S/C12H17NO3/c1-3-13-10-5-7-11(8-6-10)16-9-12(14)15-4-2/h5-8,13H,3-4,9H2,1-2H3
InChIKeyGAERQUKLLCMCAY-UHFFFAOYSA-N
XLogP2.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
CID 23823192
ethyl 2-[4-[(2,2,2-trichloroacetyl)amino]phenoxy]acetate
CID 2725562
ethyl 2-[4-(2,2-diphenylpropanoylamino)phenoxy]acetate
CID 100781586
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
[4-(2-ethoxy-2-oxoethoxy)phenyl]-trifluoroboranuide
CID 46739273
ethyl 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetate
CID 17065223
ethyl 2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]acetate
CID 86604944
ethyl 4-(4-acetamidophenoxy)-3-oxobutanoate
CID 60643861
ethyl 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetate
CID 86038981
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(ethylamino)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(ethylamino)phenoxy]acetate (CID 69220443) is ethyl 2-[4-(ethylamino)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(ethylamino)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(ethylamino)phenoxy]acetate is CCNc1ccc(OCC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[4-(ethylamino)phenoxy]acetate?
The InChIKey is GAERQUKLLCMCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-13-10-5-7-11(8-6-10)16-9-12(14)15-4-2/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-[4-(ethylamino)phenoxy]acetate?
ethyl 2-[4-(ethylamino)phenoxy]acetate has a molecular weight of 223.27 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(ethylamino)phenoxy]acetate is sourced from PubChem (CID 69220443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).