methyl 2-(4-amino-3-ethoxyphenyl)acetate

C11H15NO3 — CID 146285643

IUPACmethyl 2-(4-amino-3-ethoxyphenyl)acetate
SMILESCCOc1cc(CC(=O)OC)ccc1N
InChIInChI=1S/C11H15NO3/c1-3-15-10-6-8(4-5-9(10)12)7-11(13)14-2/h4-6H,3,7,12H2,1-2H3
InChIKeyVIZAKHXURLEZCP-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-(4-amino-3-ethoxyphenyl)acetate

methyl 2-(4-amino-3-ethoxyphenyl)acetate (PubChem CID 146285643) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 2-(4-amino-3-ethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-3-ethoxyphenyl)acetate
PubChem CID146285643
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-(4-amino-3-ethoxyphenyl)acetate
SMILESCCOc1cc(CC(=O)OC)ccc1N
InChIInChI=1S/C11H15NO3/c1-3-15-10-6-8(4-5-9(10)12)7-11(13)14-2/h4-6H,3,7,12H2,1-2H3
InChIKeyVIZAKHXURLEZCP-UHFFFAOYSA-N
XLogP1.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
methyl 2-(2-amino-6-ethoxyphenyl)acetate
CID 84676806
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
1-(3-amino-4-ethoxyphenyl)propan-2-one
CID 54371004
methyl 2-(4-amino-3-nitrophenyl)acetate
CID 54002717
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
methyl 2-[3-[3-(aminomethyl)-4-ethoxyphenyl]phenyl]acetate
CID 59219100
2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide
CID 130277045
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
methyl 2-(3,4-dioctoxyphenyl)acetate
CID 22938281

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-3-ethoxyphenyl)acetate?
The IUPAC name of methyl 2-(4-amino-3-ethoxyphenyl)acetate (CID 146285643) is methyl 2-(4-amino-3-ethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(4-amino-3-ethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(4-amino-3-ethoxyphenyl)acetate is CCOc1cc(CC(=O)OC)ccc1N.
What is the InChIKey of methyl 2-(4-amino-3-ethoxyphenyl)acetate?
The InChIKey is VIZAKHXURLEZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-15-10-6-8(4-5-9(10)12)7-11(13)14-2/h4-6H,3,7,12H2,1-2H3.
What are the key properties of methyl 2-(4-amino-3-ethoxyphenyl)acetate?
methyl 2-(4-amino-3-ethoxyphenyl)acetate has a molecular weight of 209.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-3-ethoxyphenyl)acetate is sourced from PubChem (CID 146285643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).