N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine

C12H16F3NO2 — CID 115257937

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCOc1ccc(CN(C)CC(F)(F)F)c(OC)c1
InChIInChI=1S/C12H16F3NO2/c1-16(8-12(13,14)15)7-9-4-5-10(17-2)6-11(9)18-3/h4-6H,7-8H2,1-3H3
InChIKeyAZMYUMFRVFRFGV-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.70
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine

N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 115257937) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID115257937
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCOc1ccc(CN(C)CC(F)(F)F)c(OC)c1
InChIInChI=1S/C12H16F3NO2/c1-16(8-12(13,14)15)7-9-4-5-10(17-2)6-11(9)18-3/h4-6H,7-8H2,1-3H3
InChIKeyAZMYUMFRVFRFGV-UHFFFAOYSA-N
XLogP2.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine
CID 118869781
N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 170587995
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62018917
1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 115121489
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251560
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111880049

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine (CID 115257937) is N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine is COc1ccc(CN(C)CC(F)(F)F)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is AZMYUMFRVFRFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-16(8-12(13,14)15)7-9-4-5-10(17-2)6-11(9)18-3/h4-6H,7-8H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 115257937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).