2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one

C17H17F2NO — CID 107514971

IUPAC2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one
SMILESCc1ccc(C(=O)C(C)(C)c2ccc(N)cc2)c(F)c1F
InChIInChI=1S/C17H17F2NO/c1-10-4-9-13(15(19)14(10)18)16(21)17(2,3)11-5-7-12(20)8-6-11/h4-9H,20H2,1-3H3
InChIKeyGXQUPLHOXLKSDO-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.02
Rot. Bonds3

About 2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one

2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one (PubChem CID 107514971) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one
PubChem CID107514971
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one
SMILESCc1ccc(C(=O)C(C)(C)c2ccc(N)cc2)c(F)c1F
InChIInChI=1S/C17H17F2NO/c1-10-4-9-13(15(19)14(10)18)16(21)17(2,3)11-5-7-12(20)8-6-11/h4-9H,20H2,1-3H3
InChIKeyGXQUPLHOXLKSDO-UHFFFAOYSA-N
XLogP4.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 107514954
2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883112
2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one
CID 116598705
2-(4-aminophenyl)-1-(2-methoxy-5-methylphenyl)-2-methylpropan-1-one
CID 116598819
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
2-(4-aminophenyl)-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 80549578
2-(4-aminophenyl)-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 80549576
2-(4-aminophenyl)-2-methylpropanamide;hydrochloride
CID 155973359
3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one
CID 107515017
2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one
CID 116598740
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)-3-methylbutan-2-one
CID 114350488

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one (CID 107514971) is 2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one is Cc1ccc(C(=O)C(C)(C)c2ccc(N)cc2)c(F)c1F.
What is the InChIKey of 2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one?
The InChIKey is GXQUPLHOXLKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-10-4-9-13(15(19)14(10)18)16(21)17(2,3)11-5-7-12(20)8-6-11/h4-9H,20H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one?
2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one has a molecular weight of 289.33 g/mol, XLogP of 4.02, 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-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 107514971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).