methyl 2-[3-(2-aminoethyl)phenyl]acetate

C11H15NO2 — CID 18403561

IUPACmethyl 2-[3-(2-aminoethyl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(CCN)c1
InChIInChI=1S/C11H15NO2/c1-14-11(13)8-10-4-2-3-9(7-10)5-6-12/h2-4,7H,5-6,8,12H2,1H3
InChIKeyICEFFALWBFEQPX-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.90
Rot. Bonds4

About methyl 2-[3-(2-aminoethyl)phenyl]acetate

methyl 2-[3-(2-aminoethyl)phenyl]acetate (PubChem CID 18403561) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-[3-(2-aminoethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-aminoethyl)phenyl]acetate
PubChem CID18403561
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-[3-(2-aminoethyl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(CCN)c1
InChIInChI=1S/C11H15NO2/c1-14-11(13)8-10-4-2-3-9(7-10)5-6-12/h2-4,7H,5-6,8,12H2,1H3
InChIKeyICEFFALWBFEQPX-UHFFFAOYSA-N
XLogP0.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-aminoethyl)phenyl]acetate?
The IUPAC name of methyl 2-[3-(2-aminoethyl)phenyl]acetate (CID 18403561) is methyl 2-[3-(2-aminoethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-(2-aminoethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[3-(2-aminoethyl)phenyl]acetate is COC(=O)Cc1cccc(CCN)c1.
What is the InChIKey of methyl 2-[3-(2-aminoethyl)phenyl]acetate?
The InChIKey is ICEFFALWBFEQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-11(13)8-10-4-2-3-9(7-10)5-6-12/h2-4,7H,5-6,8,12H2,1H3.
What are the key properties of methyl 2-[3-(2-aminoethyl)phenyl]acetate?
methyl 2-[3-(2-aminoethyl)phenyl]acetate has a molecular weight of 193.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-aminoethyl)phenyl]acetate is sourced from PubChem (CID 18403561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).