4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

C15H13F4NO — CID 55591594

IUPAC4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESCOc1cc(F)ccc1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F4NO/c1-21-14-8-11(16)6-7-13(14)20-9-10-4-2-3-5-12(10)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyKSDXQEQNIKMILB-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.47
Rot. Bonds4

About 4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 55591594) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID55591594
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
SMILESCOc1cc(F)ccc1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F4NO/c1-21-14-8-11(16)6-7-13(14)20-9-10-4-2-3-5-12(10)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyKSDXQEQNIKMILB-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoro-2-methoxyaniline
CID 61036848
N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 29040115
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
4-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315130
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437705

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline (CID 55591594) is 4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is COc1cc(F)ccc1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is KSDXQEQNIKMILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-21-14-8-11(16)6-7-13(14)20-9-10-4-2-3-5-12(10)15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of 4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline?
4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 299.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 55591594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).