methyl 2-(2-amino-6-ethoxyphenyl)acetate

C11H15NO3 — CID 84676806

IUPACmethyl 2-(2-amino-6-ethoxyphenyl)acetate
SMILESCCOc1cccc(N)c1CC(=O)OC
InChIInChI=1S/C11H15NO3/c1-3-15-10-6-4-5-9(12)8(10)7-11(13)14-2/h4-6H,3,7,12H2,1-2H3
InChIKeyYOLIUGHWHAAGGI-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-(2-amino-6-ethoxyphenyl)acetate

methyl 2-(2-amino-6-ethoxyphenyl)acetate (PubChem CID 84676806) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 2-(2-amino-6-ethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-6-ethoxyphenyl)acetate
PubChem CID84676806
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-(2-amino-6-ethoxyphenyl)acetate
SMILESCCOc1cccc(N)c1CC(=O)OC
InChIInChI=1S/C11H15NO3/c1-3-15-10-6-4-5-9(12)8(10)7-11(13)14-2/h4-6H,3,7,12H2,1-2H3
InChIKeyYOLIUGHWHAAGGI-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

3-(2-amino-6-ethoxyphenyl)propanoic acid
CID 84676808
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
methyl 2-(4-amino-3-ethoxyphenyl)acetate
CID 146285643
2-ethoxyaniline;propan-2-one
CID 517004
methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate
CID 129039214
methyl 2-(3-amino-2-methylphenoxy)acetate
CID 43437919
methyl 3-(2-amino-3-ethoxyanilino)propanoate
CID 113392554
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
2-amino-3-ethoxybenzamide
CID 70121071
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
3-ethoxy-2-propan-2-ylaniline
CID 154678316

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-6-ethoxyphenyl)acetate?
The IUPAC name of methyl 2-(2-amino-6-ethoxyphenyl)acetate (CID 84676806) is methyl 2-(2-amino-6-ethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-amino-6-ethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-amino-6-ethoxyphenyl)acetate is CCOc1cccc(N)c1CC(=O)OC.
What is the InChIKey of methyl 2-(2-amino-6-ethoxyphenyl)acetate?
The InChIKey is YOLIUGHWHAAGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-15-10-6-4-5-9(12)8(10)7-11(13)14-2/h4-6H,3,7,12H2,1-2H3.
What are the key properties of methyl 2-(2-amino-6-ethoxyphenyl)acetate?
methyl 2-(2-amino-6-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-(2-amino-6-ethoxyphenyl)acetate is sourced from PubChem (CID 84676806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).