2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate

C12H16NO3- — CID 23123927

IUPAC2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate
SMILESCC(C)(Oc1ccc(CCN)cc1)C(=O)[O-]
InChIInChI=1S/C12H17NO3/c1-12(2,11(14)15)16-10-5-3-9(4-6-10)7-8-13/h3-6H,7-8,13H2,1-2H3,(H,14,15)/p-1
InChIKeyRYEJORVMPOOLGZ-UHFFFAOYSA-M
MW222.26 g/mol
LogP0.10
Rot. Bonds5

About 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate

2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate (PubChem CID 23123927) has the molecular formula C12H16NO3- and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate
PubChem CID23123927
Molecular FormulaC12H16NO3-
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate
SMILESCC(C)(Oc1ccc(CCN)cc1)C(=O)[O-]
InChIInChI=1S/C12H17NO3/c1-12(2,11(14)15)16-10-5-3-9(4-6-10)7-8-13/h3-6H,7-8,13H2,1-2H3,(H,14,15)/p-1
InChIKeyRYEJORVMPOOLGZ-UHFFFAOYSA-M
XLogP0.10
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-2-methylpropanoate
CID 6918953
2-(4-methoxyphenoxy)-2-methylpropanoate
CID 7645712
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
[2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoyl]oxymethyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 139547657
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 14775456
methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate
CID 117095103
tert-butyl 4-[4-(2-aminoethyl)phenoxy]benzoate
CID 69091237
ethyl 2-[4-[5-(2-aminoethyl)-2-pyridinyl]phenoxy]-2-methylpropanoate
CID 58148701
[4-(2-aminoethyl)phenyl] hydrogen carbonate;hydrochloride
CID 171616803
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
CID 3044350
tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate
CID 24754221
ethyl 2-[4-(aminomethyl)phenoxy]-2-methylpropanoate;ethyl propanoate
CID 159171684

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate?
The IUPAC name of 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate (CID 23123927) is 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate is CC(C)(Oc1ccc(CCN)cc1)C(=O)[O-].
What is the InChIKey of 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate?
The InChIKey is RYEJORVMPOOLGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17NO3/c1-12(2,11(14)15)16-10-5-3-9(4-6-10)7-8-13/h3-6H,7-8,13H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate?
2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate has a molecular weight of 222.26 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 23123927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).