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

C17H17F2NO — CID 107515017

IUPAC3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one
SMILESCc1ccc(C(=O)CC(C)c2ccc(N)cc2)c(F)c1F
InChIInChI=1S/C17H17F2NO/c1-10-3-8-14(17(19)16(10)18)15(21)9-11(2)12-4-6-13(20)7-5-12/h3-8,11H,9,20H2,1-2H3
InChIKeyQSNUECOYEQUTRD-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.23
Rot. Bonds4

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

3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one (PubChem CID 107515017) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one
PubChem CID107515017
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one
SMILESCc1ccc(C(=O)CC(C)c2ccc(N)cc2)c(F)c1F
InChIInChI=1S/C17H17F2NO/c1-10-3-8-14(17(19)16(10)18)15(21)9-11(2)12-4-6-13(20)7-5-12/h3-8,11H,9,20H2,1-2H3
InChIKeyQSNUECOYEQUTRD-UHFFFAOYSA-N
XLogP4.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.23
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

3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 116612864
3-(4-aminophenyl)-1-(2,4-dimethylphenyl)butan-1-one
CID 116612673
4-amino-1-(2,3-difluoro-4-methylphenyl)-3-methylbutan-1-one
CID 107514965
3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 116612692
3-(4-aminophenyl)-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116612828
3-amino-1-(2,3-difluoro-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 107515023
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
3-(4-aminophenyl)-1-(1,4-dimethylpyrazol-5-yl)butan-1-one
CID 112742466
3-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)butanamide
CID 104502253
3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 104502076
3-(2,3-difluoro-4-methylphenyl)-3-oxopropanoic acid
CID 170887172
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one (CID 107515017) is 3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one is Cc1ccc(C(=O)CC(C)c2ccc(N)cc2)c(F)c1F.
What is the InChIKey of 3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one?
The InChIKey is QSNUECOYEQUTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-10-3-8-14(17(19)16(10)18)15(21)9-11(2)12-4-6-13(20)7-5-12/h3-8,11H,9,20H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one?
3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one has a molecular weight of 289.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one is sourced from PubChem (CID 107515017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).