2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline

C15H14F3NO — CID 43437992

IUPAC2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
SMILESCc1cccc(OCc2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C15H14F3NO/c1-10-4-2-7-13(14(10)19)20-9-11-5-3-6-12(8-11)15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyODIWLGBJLAHYSO-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.18
Rot. Bonds3

About 2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline

2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline (PubChem CID 43437992) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline.

Molecular Properties

Compound Name2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
PubChem CID43437992
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
SMILESCc1cccc(OCc2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C15H14F3NO/c1-10-4-2-7-13(14(10)19)20-9-11-5-3-6-12(8-11)15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyODIWLGBJLAHYSO-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627388
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 103009232
1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
CID 43503898
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
3-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 115955486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
The IUPAC name of 2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline (CID 43437992) is 2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline.
What is the SMILES notation for 2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
The canonical SMILES for 2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline is Cc1cccc(OCc2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
The InChIKey is ODIWLGBJLAHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10-4-2-7-13(14(10)19)20-9-11-5-3-6-12(8-11)15(16,17)18/h2-8H,9,19H2,1H3.
What are the key properties of 2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline?
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline has a molecular weight of 281.28 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline is sourced from PubChem (CID 43437992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).