propan-2-yl 2-amino-6-fluoro-3-methylbenzoate

C11H14FNO2 — CID 60837625

IUPACpropan-2-yl 2-amino-6-fluoro-3-methylbenzoate
SMILESCc1ccc(F)c(C(=O)OC(C)C)c1N
InChIInChI=1S/C11H14FNO2/c1-6(2)15-11(14)9-8(12)5-4-7(3)10(9)13/h4-6H,13H2,1-3H3
InChIKeyODWRDMZAFHDSBJ-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.28
Rot. Bonds2

About propan-2-yl 2-amino-6-fluoro-3-methylbenzoate

propan-2-yl 2-amino-6-fluoro-3-methylbenzoate (PubChem CID 60837625) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is propan-2-yl 2-amino-6-fluoro-3-methylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-6-fluoro-3-methylbenzoate
PubChem CID60837625
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namepropan-2-yl 2-amino-6-fluoro-3-methylbenzoate
SMILESCc1ccc(F)c(C(=O)OC(C)C)c1N
InChIInChI=1S/C11H14FNO2/c1-6(2)15-11(14)9-8(12)5-4-7(3)10(9)13/h4-6H,13H2,1-3H3
InChIKeyODWRDMZAFHDSBJ-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'}

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Related Compounds

Methyl Anthranilate
CID 8635
Linalyl anthranilate
CID 23535
Cinnamyl Anthranilate
CID 5284369
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
Phenethyl anthranilate
CID 8615
Allyl anthranilate
CID 24116
Isobutyl anthranilate
CID 24515
Menthyl Anthranilate
CID 8633
Cyclohexyl anthranilate
CID 24510
Citronellyl anthranilate
CID 109467
3-Hexenyl anthranilate, (3Z)-
CID 5372353

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-6-fluoro-3-methylbenzoate?
The IUPAC name of propan-2-yl 2-amino-6-fluoro-3-methylbenzoate (CID 60837625) is propan-2-yl 2-amino-6-fluoro-3-methylbenzoate.
What is the SMILES notation for propan-2-yl 2-amino-6-fluoro-3-methylbenzoate?
The canonical SMILES for propan-2-yl 2-amino-6-fluoro-3-methylbenzoate is Cc1ccc(F)c(C(=O)OC(C)C)c1N.
What is the InChIKey of propan-2-yl 2-amino-6-fluoro-3-methylbenzoate?
The InChIKey is ODWRDMZAFHDSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-6(2)15-11(14)9-8(12)5-4-7(3)10(9)13/h4-6H,13H2,1-3H3.
What are the key properties of propan-2-yl 2-amino-6-fluoro-3-methylbenzoate?
propan-2-yl 2-amino-6-fluoro-3-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-6-fluoro-3-methylbenzoate is sourced from PubChem (CID 60837625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).