2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate

C11H14FNO3 — CID 61309264

IUPAC2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate
SMILESCOCCOC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-7-9(12)5-8(6-10(7)13)11(14)16-4-3-15-2/h5-6H,3-4,13H2,1-2H3
InChIKeyOUUNEMOZIWHMQY-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.52
Rot. Bonds4

About 2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate

2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate (PubChem CID 61309264) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate
PubChem CID61309264
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate
SMILESCOCCOC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-7-9(12)5-8(6-10(7)13)11(14)16-4-3-15-2/h5-6H,3-4,13H2,1-2H3
InChIKeyOUUNEMOZIWHMQY-UHFFFAOYSA-N
XLogP1.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 3-amino-5-fluoro-4-methylbenzoate
CID 61308274
2-(2-hydroxyethoxy)ethyl 3-amino-5-fluoro-4-methylbenzoate
CID 61314529
3-methylbutyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310243
[2-(3-methoxypropylamino)-2-oxoethyl] 3-amino-5-fluoro-4-methylbenzoate
CID 61487142
3-phenylpropyl 3-amino-5-fluoro-4-methylbenzoate
CID 61315466
2-(trifluoromethylsulfanyl)ethyl 3-amino-5-fluoro-4-methylbenzoate
CID 116617277
2-methoxyethyl 4-amino-3-fluorobenzoate
CID 62681168
(4-cyano-4-methylpentyl) 3-amino-5-fluoro-4-methylbenzoate
CID 65254924
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-amino-4-fluorobenzoate
CID 104563056
ethyl 3-amino-4,5-difluorobenzoate
CID 130981577
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
[2-(3-methylbutylamino)-2-oxoethyl] 3-amino-5-fluoro-4-methylbenzoate
CID 61487126

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate?
The IUPAC name of 2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate (CID 61309264) is 2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate.
What is the SMILES notation for 2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate?
The canonical SMILES for 2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate is COCCOC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate?
The InChIKey is OUUNEMOZIWHMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7-9(12)5-8(6-10(7)13)11(14)16-4-3-15-2/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate?
2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate has a molecular weight of 227.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate is sourced from PubChem (CID 61309264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).