1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine

C12H16F3NO2 — CID 116914326

IUPAC1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCOc1ccc(OC)c(C(N(C)C)C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-16(2)11(12(13,14)15)9-7-8(17-3)5-6-10(9)18-4/h5-7,11H,1-4H3
InChIKeyNOXHNOHNJBUYSX-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.87
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine

1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine (PubChem CID 116914326) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
PubChem CID116914326
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCOc1ccc(OC)c(C(N(C)C)C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO2/c1-16(2)11(12(13,14)15)9-7-8(17-3)5-6-10(9)18-4/h5-7,11H,1-4H3
InChIKeyNOXHNOHNJBUYSX-UHFFFAOYSA-N
XLogP2.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine 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

1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827630
2-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanethiol
CID 116908765
1-(2,4-dimethoxyphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
CID 116911329
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
1-(2,5-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79053298
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905986
1-(2,4-dimethoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine
CID 116908516
3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778618
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine (CID 116914326) is 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine is COc1ccc(OC)c(C(N(C)C)C(F)(F)F)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The InChIKey is NOXHNOHNJBUYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-16(2)11(12(13,14)15)9-7-8(17-3)5-6-10(9)18-4/h5-7,11H,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine?
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine is sourced from PubChem (CID 116914326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).