1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone

C13H16F3NO2 — CID 60893124

IUPAC1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(C)CC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-9(18)10-4-5-12(19-3)11(6-10)7-17(2)8-13(14,15)16/h4-6H,7-8H2,1-3H3
InChIKeyUVWPADLOJUJNLV-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone

1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone (PubChem CID 60893124) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
PubChem CID60893124
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(C)CC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-9(18)10-4-5-12(19-3)11(6-10)7-17(2)8-13(14,15)16/h4-6H,7-8H2,1-3H3
InChIKeyUVWPADLOJUJNLV-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62019167
1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994
2-[(5-acetyl-2-methoxyphenyl)methyl-methylamino]-N-tert-butylacetamide
CID 8766908
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
CID 63965306
2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62018917
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79600380
1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 46630509
1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 112812859

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone (CID 60893124) is 1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone is COc1ccc(C(C)=O)cc1CN(C)CC(F)(F)F.
What is the InChIKey of 1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone?
The InChIKey is UVWPADLOJUJNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(18)10-4-5-12(19-3)11(6-10)7-17(2)8-13(14,15)16/h4-6H,7-8H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone?
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone has a molecular weight of 275.27 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone is sourced from PubChem (CID 60893124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).