(2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone

C14H12FNO — CID 64832368

IUPAC(2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)c1ccccc1N
InChIInChI=1S/C14H12FNO/c1-9-8-10(15)6-7-11(9)14(17)12-4-2-3-5-13(12)16/h2-8H,16H2,1H3
InChIKeyLVMMOELRNFOZOX-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.95
Rot. Bonds2

About (2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone

(2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 64832368) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is (2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID64832368
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name(2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)c1ccccc1N
InChIInChI=1S/C14H12FNO/c1-9-8-10(15)6-7-11(9)14(17)12-4-2-3-5-13(12)16/h2-8H,16H2,1H3
InChIKeyLVMMOELRNFOZOX-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 69912
4-Aminobenzophenone
CID 14346
1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
CID 577464
Methanone, (3-aminophenyl)phenyl-
CID 17817
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CID 20267
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CID 76080
1-Aminofluoren-9-one
CID 80664

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone (CID 64832368) is (2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)c1ccccc1N.
What is the InChIKey of (2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is LVMMOELRNFOZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-9-8-10(15)6-7-11(9)14(17)12-4-2-3-5-13(12)16/h2-8H,16H2,1H3.
What are the key properties of (2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone?
(2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 229.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 64832368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).