ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate

C17H18FNO2 — CID 59840734

IUPACethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate
SMILESCCOC(=O)C(c1ccc(N)c(F)c1)c1ccccc1C
InChIInChI=1S/C17H18FNO2/c1-3-21-17(20)16(13-7-5-4-6-11(13)2)12-8-9-15(19)14(18)10-12/h4-10,16H,3,19H2,1-2H3
InChIKeyFNYMMWRSZNKXHI-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.41
Rot. Bonds4

About ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate

ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate (PubChem CID 59840734) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate
PubChem CID59840734
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate
SMILESCCOC(=O)C(c1ccc(N)c(F)c1)c1ccccc1C
InChIInChI=1S/C17H18FNO2/c1-3-21-17(20)16(13-7-5-4-6-11(13)2)12-8-9-15(19)14(18)10-12/h4-10,16H,3,19H2,1-2H3
InChIKeyFNYMMWRSZNKXHI-UHFFFAOYSA-N
XLogP3.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate?
The IUPAC name of ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate (CID 59840734) is ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate is CCOC(=O)C(c1ccc(N)c(F)c1)c1ccccc1C.
What is the InChIKey of ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate?
The InChIKey is FNYMMWRSZNKXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-21-17(20)16(13-7-5-4-6-11(13)2)12-8-9-15(19)14(18)10-12/h4-10,16H,3,19H2,1-2H3.
What are the key properties of ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate?
ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate has a molecular weight of 287.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-3-fluorophenyl)-2-(2-methylphenyl)acetate is sourced from PubChem (CID 59840734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).