N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide

C11H13F3N2O2 — CID 122629173

IUPACN-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(CNC(=O)C(F)(F)F)c(C)cc1N
InChIInChI=1S/C11H13F3N2O2/c1-6-3-8(15)9(18-2)4-7(6)5-16-10(17)11(12,13)14/h3-4H,5,15H2,1-2H3,(H,16,17)
InChIKeyUOAOXJUNGGTFOY-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.76
Rot. Bonds3

About N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide

N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 122629173) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID122629173
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(CNC(=O)C(F)(F)F)c(C)cc1N
InChIInChI=1S/C11H13F3N2O2/c1-6-3-8(15)9(18-2)4-7(6)5-16-10(17)11(12,13)14/h3-4H,5,15H2,1-2H3,(H,16,17)
InChIKeyUOAOXJUNGGTFOY-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.76
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

2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115190257
N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 122629192
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275
2-hydroxy-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115178746
1-amino-3-[(4,5-dimethoxy-2-methylphenyl)methyl]urea
CID 115192661
N-[(4,5-dimethoxy-2-methylphenyl)methyl]carbamoyl bromide
CID 115193611
1-cyano-N-[(4,5-dimethoxy-2-methylphenyl)methyl]formamide
CID 115172196
2-amino-N-[(5-tert-butyl-4-methoxy-2-methylphenyl)methyl]acetamide
CID 96678465
N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 14566888
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190282

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide (CID 122629173) is N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide is COc1cc(CNC(=O)C(F)(F)F)c(C)cc1N.
What is the InChIKey of N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is UOAOXJUNGGTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-6-3-8(15)9(18-2)4-7(6)5-16-10(17)11(12,13)14/h3-4H,5,15H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide?
N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 262.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 122629173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).