2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline

C16H16F3NO — CID 67771682

IUPAC2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline
SMILESCc1cccc(Nc2ccccc2OC(F)(F)CF)c1C
InChIInChI=1S/C16H16F3NO/c1-11-6-5-8-13(12(11)2)20-14-7-3-4-9-15(14)21-16(18,19)10-17/h3-9,20H,10H2,1-2H3
InChIKeyACVFVOTUNVGJGV-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.99
Rot. Bonds5

About 2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline

2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline (PubChem CID 67771682) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline
PubChem CID67771682
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline
SMILESCc1cccc(Nc2ccccc2OC(F)(F)CF)c1C
InChIInChI=1S/C16H16F3NO/c1-11-6-5-8-13(12(11)2)20-14-7-3-4-9-15(14)21-16(18,19)10-17/h3-9,20H,10H2,1-2H3
InChIKeyACVFVOTUNVGJGV-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline (CID 67771682) is 2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline is Cc1cccc(Nc2ccccc2OC(F)(F)CF)c1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline?
The InChIKey is ACVFVOTUNVGJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-6-5-8-13(12(11)2)20-14-7-3-4-9-15(14)21-16(18,19)10-17/h3-9,20H,10H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline?
2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline has a molecular weight of 295.30 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(1,1,2-trifluoroethoxy)phenyl]aniline is sourced from PubChem (CID 67771682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).