1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone

C17H18FNO — CID 116597713

IUPAC1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2cccc(F)c2N)c(C)c1
InChIInChI=1S/C17H18FNO/c1-10-7-11(2)14(12(3)8-10)9-16(20)13-5-4-6-15(18)17(13)19/h4-8H,9,19H2,1-3H3
InChIKeyNORFTEXKJXAVBJ-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.76
Rot. Bonds3

About 1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone

1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 116597713) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID116597713
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)c2cccc(F)c2N)c(C)c1
InChIInChI=1S/C17H18FNO/c1-10-7-11(2)14(12(3)8-10)9-16(20)13-5-4-6-15(18)17(13)19/h4-8H,9,19H2,1-3H3
InChIKeyNORFTEXKJXAVBJ-UHFFFAOYSA-N
XLogP3.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.76
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

1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966095
1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 63410206
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
1-(2,3-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 63989422
1-(2-amino-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116597538
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
1-(2-amino-3-fluorophenyl)but-3-yn-1-one
CID 116597523
1-(2-amino-3-fluorophenyl)hexan-1-one
CID 116597714
1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116597773

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone (CID 116597713) is 1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)c2cccc(F)c2N)c(C)c1.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is NORFTEXKJXAVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-10-7-11(2)14(12(3)8-10)9-16(20)13-5-4-6-15(18)17(13)19/h4-8H,9,19H2,1-3H3.
What are the key properties of 1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 271.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 116597713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).