methyl 2-[4-(2-aminoethyl)phenoxy]acetate

C11H15NO3 — CID 15674417

IUPACmethyl 2-[4-(2-aminoethyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(CCN)cc1
InChIInChI=1S/C11H15NO3/c1-14-11(13)8-15-10-4-2-9(3-5-10)6-7-12/h2-5H,6-8,12H2,1H3
InChIKeyRYNVPGCCNZBBCS-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.74
Rot. Bonds5

About methyl 2-[4-(2-aminoethyl)phenoxy]acetate

methyl 2-[4-(2-aminoethyl)phenoxy]acetate (PubChem CID 15674417) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 2-[4-(2-aminoethyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-aminoethyl)phenoxy]acetate
PubChem CID15674417
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-[4-(2-aminoethyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(CCN)cc1
InChIInChI=1S/C11H15NO3/c1-14-11(13)8-15-10-4-2-9(3-5-10)6-7-12/h2-5H,6-8,12H2,1H3
InChIKeyRYNVPGCCNZBBCS-UHFFFAOYSA-N
XLogP0.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-propylphenoxy)acetate
CID 19911850
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 14775456
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate
CID 20820636
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133
methyl 3-[4-(2-butoxy-2-oxoethoxy)phenyl]propanoate
CID 143068523
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
(2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate
CID 173159456
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-aminoethyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(2-aminoethyl)phenoxy]acetate (CID 15674417) is methyl 2-[4-(2-aminoethyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(2-aminoethyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(2-aminoethyl)phenoxy]acetate is COC(=O)COc1ccc(CCN)cc1.
What is the InChIKey of methyl 2-[4-(2-aminoethyl)phenoxy]acetate?
The InChIKey is RYNVPGCCNZBBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-11(13)8-15-10-4-2-9(3-5-10)6-7-12/h2-5H,6-8,12H2,1H3.
What are the key properties of methyl 2-[4-(2-aminoethyl)phenoxy]acetate?
methyl 2-[4-(2-aminoethyl)phenoxy]acetate has a molecular weight of 209.24 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-aminoethyl)phenoxy]acetate is sourced from PubChem (CID 15674417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).