[5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone

C15H14FNO2 — CID 70477106

IUPAC[5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone
SMILESCc1c(OCF)cc(N)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H14FNO2/c1-10-13(7-12(17)8-14(10)19-9-16)15(18)11-5-3-2-4-6-11/h2-8H,9,17H2,1H3
InChIKeyIVPQSVFQQVZKBP-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.11
Rot. Bonds4

About [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone

[5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone (PubChem CID 70477106) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone
PubChem CID70477106
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name[5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone
SMILESCc1c(OCF)cc(N)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H14FNO2/c1-10-13(7-12(17)8-14(10)19-9-16)15(18)11-5-3-2-4-6-11/h2-8H,9,17H2,1H3
InChIKeyIVPQSVFQQVZKBP-UHFFFAOYSA-N
XLogP3.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone?
The IUPAC name of [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone (CID 70477106) is [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone.
What is the SMILES notation for [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone?
The canonical SMILES for [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone is Cc1c(OCF)cc(N)cc1C(=O)c1ccccc1.
What is the InChIKey of [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone?
The InChIKey is IVPQSVFQQVZKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-13(7-12(17)8-14(10)19-9-16)15(18)11-5-3-2-4-6-11/h2-8H,9,17H2,1H3.
What are the key properties of [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone?
[5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone has a molecular weight of 259.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(fluoromethoxy)-2-methylphenyl]-phenylmethanone is sourced from PubChem (CID 70477106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).