1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone

C15H14FNO2 — CID 107168510

IUPAC1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C)c(F)c2)cc1N
InChIInChI=1S/C15H14FNO2/c1-9-3-4-11(7-14(9)16)19-12-5-6-13(10(2)18)15(17)8-12/h3-8H,17H2,1-2H3
InChIKeyMOXGVXUIVBFNIO-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.71
Rot. Bonds3

About 1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone

1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone (PubChem CID 107168510) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
PubChem CID107168510
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C)c(F)c2)cc1N
InChIInChI=1S/C15H14FNO2/c1-9-3-4-11(7-14(9)16)19-12-5-6-13(10(2)18)15(17)8-12/h3-8H,17H2,1-2H3
InChIKeyMOXGVXUIVBFNIO-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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

1-[2-amino-4-(3-bromo-4-fluorophenoxy)phenyl]ethanone
CID 104529391
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
1-[2-amino-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 104529321
2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
CID 107171000
4-amino-2-(3-fluoro-4-methylphenoxy)-N-methylbenzamide
CID 107168498
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
CID 142513728
2-(3-acetyl-4-aminophenoxy)-3-fluoro-6-methylbenzonitrile
CID 166168415
1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone
CID 107386877
2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279072
[3-(4-amino-3-fluorophenoxy)phenyl] acetate
CID 146292003
(3-amino-4-methylphenyl) acetate
CID 66838768

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone (CID 107168510) is 1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(C)c(F)c2)cc1N.
What is the InChIKey of 1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone?
The InChIKey is MOXGVXUIVBFNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-9-3-4-11(7-14(9)16)19-12-5-6-13(10(2)18)15(17)8-12/h3-8H,17H2,1-2H3.
What are the key properties of 1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone?
1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone has a molecular weight of 259.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone is sourced from PubChem (CID 107168510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).