propan-2-yl 2-amino-3-fluoro-5-methylbenzoate

C11H14FNO2 — CID 60835805

IUPACpropan-2-yl 2-amino-3-fluoro-5-methylbenzoate
SMILESCc1cc(F)c(N)c(C(=O)OC(C)C)c1
InChIInChI=1S/C11H14FNO2/c1-6(2)15-11(14)8-4-7(3)5-9(12)10(8)13/h4-6H,13H2,1-3H3
InChIKeySWPIUPDVENOYAZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.28
Rot. Bonds2

About propan-2-yl 2-amino-3-fluoro-5-methylbenzoate

propan-2-yl 2-amino-3-fluoro-5-methylbenzoate (PubChem CID 60835805) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is propan-2-yl 2-amino-3-fluoro-5-methylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-3-fluoro-5-methylbenzoate
PubChem CID60835805
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namepropan-2-yl 2-amino-3-fluoro-5-methylbenzoate
SMILESCc1cc(F)c(N)c(C(=O)OC(C)C)c1
InChIInChI=1S/C11H14FNO2/c1-6(2)15-11(14)8-4-7(3)5-9(12)10(8)13/h4-6H,13H2,1-3H3
InChIKeySWPIUPDVENOYAZ-UHFFFAOYSA-N
XLogP2.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-amino-3-fluoro-5-methylbenzoate with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl 2-amino-3-bromo-5-methylbenzoate
CID 60835807
propan-2-yl 2-amino-4,5-difluorobenzoate
CID 60835801
propan-2-yl 2-amino-5-bromo-3-fluoro-4-methylbenzoate
CID 107367808
propan-2-yl 2-amino-3-chloro-5-fluorobenzoate
CID 60837142
propan-2-yl 2-amino-5-[2-(dimethylamino)-2-oxoethoxy]-3-fluorobenzoate
CID 63180484
propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate
CID 60856722
butan-2-yl 2-amino-3,5-dimethylbenzoate
CID 63112676
propan-2-yl 2-amino-3,6-difluorobenzoate
CID 60836795
propan-2-yl 2-amino-6-fluoro-3-methylbenzoate
CID 60837625
propan-2-yl 2-chloro-4-fluoro-5-methylbenzoate
CID 22955956
dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate
CID 141177939
propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate
CID 133057091

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-3-fluoro-5-methylbenzoate?
The IUPAC name of propan-2-yl 2-amino-3-fluoro-5-methylbenzoate (CID 60835805) is propan-2-yl 2-amino-3-fluoro-5-methylbenzoate.
What is the SMILES notation for propan-2-yl 2-amino-3-fluoro-5-methylbenzoate?
The canonical SMILES for propan-2-yl 2-amino-3-fluoro-5-methylbenzoate is Cc1cc(F)c(N)c(C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 2-amino-3-fluoro-5-methylbenzoate?
The InChIKey is SWPIUPDVENOYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-6(2)15-11(14)8-4-7(3)5-9(12)10(8)13/h4-6H,13H2,1-3H3.
What are the key properties of propan-2-yl 2-amino-3-fluoro-5-methylbenzoate?
propan-2-yl 2-amino-3-fluoro-5-methylbenzoate has a molecular weight of 211.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-3-fluoro-5-methylbenzoate is sourced from PubChem (CID 60835805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).