2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one

C18H20FNO — CID 106883112

IUPAC2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1cc(C)c(C(=O)C(C)(C)c2ccc(N)cc2)c(F)c1
InChIInChI=1S/C18H20FNO/c1-11-9-12(2)16(15(19)10-11)17(21)18(3,4)13-5-7-14(20)8-6-13/h5-10H,20H2,1-4H3
InChIKeyIFGXZULKTYPULV-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.19
Rot. Bonds3

About 2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one

2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one (PubChem CID 106883112) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
PubChem CID106883112
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1cc(C)c(C(=O)C(C)(C)c2ccc(N)cc2)c(F)c1
InChIInChI=1S/C18H20FNO/c1-11-9-12(2)16(15(19)10-11)17(21)18(3,4)13-5-7-14(20)8-6-13/h5-10H,20H2,1-4H3
InChIKeyIFGXZULKTYPULV-UHFFFAOYSA-N
XLogP4.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.19
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-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one
CID 116598705
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 130665453
2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107514971
2-(4-aminophenyl)-2-methyl-1-(3-methylphenyl)propan-1-one
CID 116598740
1-(2-fluoro-4,6-dimethylphenyl)-2,2-dimethylbutan-1-one
CID 106883231
2-(azepan-1-yl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106880847
1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 106880988
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
CID 106883129
2-(4-aminophenyl)-1-(2-methoxy-5-methylphenyl)-2-methylpropan-1-one
CID 116598819
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106883114
3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)-3-methylbutan-2-one
CID 114350488
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one (CID 106883112) is 2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one is Cc1cc(C)c(C(=O)C(C)(C)c2ccc(N)cc2)c(F)c1.
What is the InChIKey of 2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one?
The InChIKey is IFGXZULKTYPULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-11-9-12(2)16(15(19)10-11)17(21)18(3,4)13-5-7-14(20)8-6-13/h5-10H,20H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one?
2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one has a molecular weight of 285.36 g/mol, XLogP of 4.19, 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-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 106883112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).