2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone

C15H14FNO — CID 107129670

IUPAC2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(N)cc2)cc1F
InChIInChI=1S/C15H14FNO/c1-10-2-5-12(9-14(10)16)15(18)8-11-3-6-13(17)7-4-11/h2-7,9H,8,17H2,1H3
InChIKeySHVBINGPBDUROP-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone

2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone (PubChem CID 107129670) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
PubChem CID107129670
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(N)cc2)cc1F
InChIInChI=1S/C15H14FNO/c1-10-2-5-12(9-14(10)16)15(18)8-11-3-6-13(17)7-4-11/h2-7,9H,8,17H2,1H3
InChIKeySHVBINGPBDUROP-UHFFFAOYSA-N
XLogP3.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592
2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
1-(4-amino-3-fluorophenyl)-2-(4-hydroxyphenyl)ethanone
CID 116547280
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
CID 107129738
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
2-(2,5-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 65317110

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone (CID 107129670) is 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2ccc(N)cc2)cc1F.
What is the InChIKey of 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The InChIKey is SHVBINGPBDUROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-10-2-5-12(9-14(10)16)15(18)8-11-3-6-13(17)7-4-11/h2-7,9H,8,17H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone has a molecular weight of 243.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 107129670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).