1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone

C10H11F3N2O — CID 100939394

IUPAC1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone
SMILESCN(C)c1ccc(N)c(C(=O)C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c1-15(2)6-3-4-8(14)7(5-6)9(16)10(11,12)13/h3-5H,14H2,1-2H3
InChIKeyPEAMIHUOCAYKMZ-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.08
Rot. Bonds2

About 1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone

1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone (PubChem CID 100939394) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is 1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone
PubChem CID100939394
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone
SMILESCN(C)c1ccc(N)c(C(=O)C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c1-15(2)6-3-4-8(14)7(5-6)9(16)10(11,12)13/h3-5H,14H2,1-2H3
InChIKeyPEAMIHUOCAYKMZ-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-5-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 98460898
1-[2-amino-5-[4-(dimethylamino)anilino]phenyl]ethanone
CID 104612418
1-[5-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one
CID 23385533
1-(4-amino-2,3-dichlorophenyl)-2,2,2-trifluoroethanone
CID 175139481
5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride
CID 134630024
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
CID 113433012
N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91720800
1-[2-[2-acetyl-4-(dimethylamino)phenyl]-5-(dimethylamino)phenyl]ethanone
CID 171781093
1-[4-bromo-1-(dimethylamino)naphthalen-2-yl]-2,2,2-trifluoroethanone
CID 11810121
1-[4-(dimethylamino)-2-methylphenyl]-2,2-dimethylpropan-1-one
CID 23385530
1-[5-(dimethylamino)-2-methylphenyl]ethanone
CID 54505937
1-[4,5-bis(dimethylamino)naphthalen-1-yl]-2,2,2-trifluoroethanone
CID 2327126

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone (CID 100939394) is 1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone is CN(C)c1ccc(N)c(C(=O)C(F)(F)F)c1.
What is the InChIKey of 1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone?
The InChIKey is PEAMIHUOCAYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-15(2)6-3-4-8(14)7(5-6)9(16)10(11,12)13/h3-5H,14H2,1-2H3.
What are the key properties of 1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone?
1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone has a molecular weight of 232.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(dimethylamino)phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 100939394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).