4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine

C14H20F3NO — CID 106680772

IUPAC4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1c(C)cc(C)cc1OC
InChIInChI=1S/C14H20F3NO/c1-9-7-10(2)13(12(8-9)19-4)11(18-3)5-6-14(15,16)17/h7-8,11,18H,5-6H2,1-4H3
InChIKeyNPIXBMCMUMXPKD-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.92
Rot. Bonds5

About 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine

4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine (PubChem CID 106680772) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
PubChem CID106680772
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1c(C)cc(C)cc1OC
InChIInChI=1S/C14H20F3NO/c1-9-7-10(2)13(12(8-9)19-4)11(18-3)5-6-14(15,16)17/h7-8,11,18H,5-6H2,1-4H3
InChIKeyNPIXBMCMUMXPKD-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
CID 106680472
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine
CID 106680529
[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105313895
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 106680156
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropan-1-amine
CID 106680743
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
[1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 106682918
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 106680429

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine (CID 106680772) is 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine is CNC(CCC(F)(F)F)c1c(C)cc(C)cc1OC.
What is the InChIKey of 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine?
The InChIKey is NPIXBMCMUMXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-9-7-10(2)13(12(8-9)19-4)11(18-3)5-6-14(15,16)17/h7-8,11,18H,5-6H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine?
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 106680772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).