4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline

C13H18F3NO — CID 115257779

IUPAC4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1c(C)cc(N(C)CC(F)(F)F)c(C)c1C
InChIInChI=1S/C13H18F3NO/c1-8-6-11(17(4)7-13(14,15)16)9(2)10(3)12(8)18-5/h6H,7H2,1-5H3
InChIKeyDRLHEDYQOKSCBF-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.62
Rot. Bonds3

About 4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline

4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 115257779) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID115257779
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1c(C)cc(N(C)CC(F)(F)F)c(C)c1C
InChIInChI=1S/C13H18F3NO/c1-8-6-11(17(4)7-13(14,15)16)9(2)10(3)12(8)18-5/h6H,7H2,1-5H3
InChIKeyDRLHEDYQOKSCBF-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline (CID 115257779) is 4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline is COc1c(C)cc(N(C)CC(F)(F)F)c(C)c1C.
What is the InChIKey of 4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is DRLHEDYQOKSCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-8-6-11(17(4)7-13(14,15)16)9(2)10(3)12(8)18-5/h6H,7H2,1-5H3.
What are the key properties of 4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline?
4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 261.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,3,5-tetramethyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 115257779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).