methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate

C15H14FNO2 — CID 11139810

IUPACmethyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate
SMILESCOC(=O)Cc1c(-c2ccccc2)ccc(N)c1F
InChIInChI=1S/C15H14FNO2/c1-19-14(18)9-12-11(7-8-13(17)15(12)16)10-5-3-2-4-6-10/h2-8H,9,17H2,1H3
InChIKeyABWBLGXFYUARNW-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.79
Rot. Bonds3

About methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate

methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate (PubChem CID 11139810) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate
PubChem CID11139810
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Namemethyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate
SMILESCOC(=O)Cc1c(-c2ccccc2)ccc(N)c1F
InChIInChI=1S/C15H14FNO2/c1-19-14(18)9-12-11(7-8-13(17)15(12)16)10-5-3-2-4-6-10/h2-8H,9,17H2,1H3
InChIKeyABWBLGXFYUARNW-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.79
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

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CID 53372
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Methyl 3-aminophenylacetate
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Methyl 2-(4-aminophenyl)-2-methylpropanoate
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Methyl 2-(4-aminophenyl)acetate
CID 2761030
3-Amino-alpha-methylbenzeneacetic acid
CID 10844766
Benzeneacetic acid, 4-amino-alpha-ethyl-alpha-phenyl-, ethyl ester
CID 3046178
Methyl 2-(3-aminophenyl)propanoate
CID 13054267
Tert-butyl 2-(3-aminophenyl)acetate
CID 21201528
Methyl 2-(3-aminophenyl)acetate hydrochloride
CID 44119610
Methyl 2-(4-amino-2-fluorophenyl)acetate
CID 53951105

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate?
The IUPAC name of methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate (CID 11139810) is methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate?
The canonical SMILES for methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate is COC(=O)Cc1c(-c2ccccc2)ccc(N)c1F.
What is the InChIKey of methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate?
The InChIKey is ABWBLGXFYUARNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-19-14(18)9-12-11(7-8-13(17)15(12)16)10-5-3-2-4-6-10/h2-8H,9,17H2,1H3.
What are the key properties of methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate?
methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate has a molecular weight of 259.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-2-fluoro-6-phenylphenyl)acetate is sourced from PubChem (CID 11139810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).