ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate

C16H25NO3 — CID 69346234

IUPACethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(CC(C)N)cc1C
InChIInChI=1S/C16H25NO3/c1-6-19-15(18)16(4,5)20-14-8-7-13(9-11(14)2)10-12(3)17/h7-9,12H,6,10,17H2,1-5H3
InChIKeyTXFJMVOKUFXIQV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds6

About ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate

ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate (PubChem CID 69346234) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate
PubChem CID69346234
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(CC(C)N)cc1C
InChIInChI=1S/C16H25NO3/c1-6-19-15(18)16(4,5)20-14-8-7-13(9-11(14)2)10-12(3)17/h7-9,12H,6,10,17H2,1-5H3
InChIKeyTXFJMVOKUFXIQV-UHFFFAOYSA-N
XLogP2.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(1-aminoethyl)-2-methylphenoxy]-2-methylpropanoate
CID 20766027
3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-3-methylphenyl]propanoic acid
CID 69346277
ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate
CID 91205348
ethyl 2-methyl-2-[2-methyl-4-(1-oxopropan-2-yl)phenoxy]propanoate
CID 87793687
ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate
CID 71192492
ethyl 2-(4-formyl-2-methylphenoxy)-2-methylpropanoate
CID 18448413
ethyl 2-[4-[3-(1-aminoethyl)-5-fluorophenoxy]-2-methylphenoxy]-2-methylpropanoate
CID 58853654
ethyl 2-methyl-2-[2-methyl-4-[[4-(4-methylphenyl)phenyl]methylselanyl]phenoxy]propanoate;methane
CID 162172537
1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63817540
ethyl 2-methyl-2-[2-methyl-4-[3-oxo-3-[4-[4-(trifluoromethyl)phenyl]anilino]propyl]phenoxy]propanoate
CID 69347184
ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
CID 156541205
[2-methyl-4-[[3-methyl-4-(3-methylpentan-3-yloxy)phenyl]methyl]phenyl] 2-methylpropanoate
CID 89007869

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate (CID 69346234) is ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(CC(C)N)cc1C.
What is the InChIKey of ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate?
The InChIKey is TXFJMVOKUFXIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-19-15(18)16(4,5)20-14-8-7-13(9-11(14)2)10-12(3)17/h7-9,12H,6,10,17H2,1-5H3.
What are the key properties of ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate?
ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate has a molecular weight of 279.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate is sourced from PubChem (CID 69346234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).