N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide

C12H16F3N3O — CID 60890964

IUPACN-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCc1c(N)cccc1NC(=O)CN(C)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-8-9(16)4-3-5-10(8)17-11(19)6-18(2)7-12(13,14)15/h3-5H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyKKSJFPBYSPKQCB-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.01
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide

N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 60890964) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID60890964
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCc1c(N)cccc1NC(=O)CN(C)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-8-9(16)4-3-5-10(8)17-11(19)6-18(2)7-12(13,14)15/h3-5H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyKKSJFPBYSPKQCB-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63015483
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
CID 40694690
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
(3-amino-2-methylphenyl)urea
CID 16770559
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995274
methyl 2-[2-(3-amino-2-methylanilino)-2-oxoethyl]sulfanylacetate
CID 43618012
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545494
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide (CID 60890964) is N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide is Cc1c(N)cccc1NC(=O)CN(C)CC(F)(F)F.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is KKSJFPBYSPKQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8-9(16)4-3-5-10(8)17-11(19)6-18(2)7-12(13,14)15/h3-5H,6-7,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide?
N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 275.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 60890964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).