fluoro 4-(2-aminoethoxy)-2-methylbenzoate

C10H12FNO3 — CID 174554135

IUPACfluoro 4-(2-aminoethoxy)-2-methylbenzoate
SMILESCc1cc(OCCN)ccc1C(=O)OF
InChIInChI=1S/C10H12FNO3/c1-7-6-8(14-5-4-12)2-3-9(7)10(13)15-11/h2-3,6H,4-5,12H2,1H3
InChIKeyDEYNKXXJYBAXRV-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.37
Rot. Bonds4

About fluoro 4-(2-aminoethoxy)-2-methylbenzoate

fluoro 4-(2-aminoethoxy)-2-methylbenzoate (PubChem CID 174554135) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is fluoro 4-(2-aminoethoxy)-2-methylbenzoate.

Molecular Properties

Compound Namefluoro 4-(2-aminoethoxy)-2-methylbenzoate
PubChem CID174554135
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namefluoro 4-(2-aminoethoxy)-2-methylbenzoate
SMILESCc1cc(OCCN)ccc1C(=O)OF
InChIInChI=1S/C10H12FNO3/c1-7-6-8(14-5-4-12)2-3-9(7)10(13)15-11/h2-3,6H,4-5,12H2,1H3
InChIKeyDEYNKXXJYBAXRV-UHFFFAOYSA-N
XLogP1.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze fluoro 4-(2-aminoethoxy)-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro 4-(2-aminoethoxy)-2-methylbenzoate?
The IUPAC name of fluoro 4-(2-aminoethoxy)-2-methylbenzoate (CID 174554135) is fluoro 4-(2-aminoethoxy)-2-methylbenzoate.
What is the SMILES notation for fluoro 4-(2-aminoethoxy)-2-methylbenzoate?
The canonical SMILES for fluoro 4-(2-aminoethoxy)-2-methylbenzoate is Cc1cc(OCCN)ccc1C(=O)OF.
What is the InChIKey of fluoro 4-(2-aminoethoxy)-2-methylbenzoate?
The InChIKey is DEYNKXXJYBAXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-7-6-8(14-5-4-12)2-3-9(7)10(13)15-11/h2-3,6H,4-5,12H2,1H3.
What are the key properties of fluoro 4-(2-aminoethoxy)-2-methylbenzoate?
fluoro 4-(2-aminoethoxy)-2-methylbenzoate has a molecular weight of 213.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-(2-aminoethoxy)-2-methylbenzoate is sourced from PubChem (CID 174554135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).