3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline

C15H13F4NO — CID 63454704

IUPAC3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
SMILESCc1c(F)cccc1NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H13F4NO/c1-10-12(16)6-4-7-13(10)20-9-11-5-2-3-8-14(11)21-15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyRZCXPZNKFPUMEG-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.64
Rot. Bonds4

About 3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline

3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline (PubChem CID 63454704) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
PubChem CID63454704
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
SMILESCc1c(F)cccc1NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H13F4NO/c1-10-12(16)6-4-7-13(10)20-9-11-5-2-3-8-14(11)21-15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyRZCXPZNKFPUMEG-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of 3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline (CID 63454704) is 3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for 3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline is Cc1c(F)cccc1NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline?
The InChIKey is RZCXPZNKFPUMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-10-12(16)6-4-7-13(10)20-9-11-5-2-3-8-14(11)21-15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of 3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline?
3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline has a molecular weight of 299.27 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 63454704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).