4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline

C16H15ClF3NO — CID 23131641

IUPAC4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline
SMILESCOC(c1ccc(Cl)cc1)(c1ccc(N)c(C)c1)C(F)(F)F
InChIInChI=1S/C16H15ClF3NO/c1-10-9-12(5-8-14(10)21)15(22-2,16(18,19)20)11-3-6-13(17)7-4-11/h3-9H,21H2,1-2H3
InChIKeyGVQIRQKERIFVNI-UHFFFAOYSA-N
MW329.75 g/mol
LogP4.68
Rot. Bonds3

About 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline

4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline (PubChem CID 23131641) has the molecular formula C16H15ClF3NO and a molecular weight of 329.75 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline
PubChem CID23131641
Molecular FormulaC16H15ClF3NO
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline
SMILESCOC(c1ccc(Cl)cc1)(c1ccc(N)c(C)c1)C(F)(F)F
InChIInChI=1S/C16H15ClF3NO/c1-10-9-12(5-8-14(10)21)15(22-2,16(18,19)20)11-3-6-13(17)7-4-11/h3-9H,21H2,1-2H3
InChIKeyGVQIRQKERIFVNI-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline 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

2-(1,3-Dimethylbutyl)-4-[1-methoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-aniline
CID 12115479
(E)-2-(4-amino-3-methylphenyl)-4-(4-chlorophenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 23131626
1-(4-Amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
CID 23131631
4-{1-(4-Chlorophenyl)-2,2,2-trifluoro-1-[(trimethylsilyl)-oxy]ethyl}aniline
CID 67172414
1-(4-Amino-3-methylphenyl)-3-(4-chlorophenyl)-1-trifluoromethyl-2-propen-1-ol
CID 69334175
4-[4-(4-Chlorophenyl)-2-trifluoromethyl-1,3-dioxolan-2-yl]-2-methylaniline
CID 69716142
4-[3-(4-Chlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-5-yl]-2-methylaniline
CID 69717085
4-[2-(4-chlorophenyl)-5-(trifluoromethyl)-4H-1,3-oxazol-5-yl]-2-methylaniline
CID 69723482
4-[3-(4-Chlorophenyl)-5-heptafluoropropyl-4,5-dihydroisoxazol-5-yl]-2-methylaniline
CID 86601554
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylaniline
CID 90903324
1-[1-(4-Chlorophenyl)-2,2,2-trifluoro-1-propan-2-yloxyethyl]-4-nitrobenzene
CID 91005284
[2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(4-chlorophenyl)propanoate
CID 91228351

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline?
The IUPAC name of 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline (CID 23131641) is 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline?
The canonical SMILES for 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline is COC(c1ccc(Cl)cc1)(c1ccc(N)c(C)c1)C(F)(F)F.
What is the InChIKey of 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline?
The InChIKey is GVQIRQKERIFVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO/c1-10-9-12(5-8-14(10)21)15(22-2,16(18,19)20)11-3-6-13(17)7-4-11/h3-9H,21H2,1-2H3.
What are the key properties of 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline?
4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline has a molecular weight of 329.75 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-methoxyethyl]-2-methylaniline is sourced from PubChem (CID 23131641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).