1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine

C15H13F4NO — CID 106531188

IUPAC1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F4NO/c1-20-9-10-6-11(16)8-12(7-10)21-14-5-3-2-4-13(14)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyQTDXXRQJVGTYRY-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.36
Rot. Bonds4

About 1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine

1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine (PubChem CID 106531188) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
PubChem CID106531188
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F4NO/c1-20-9-10-6-11(16)8-12(7-10)21-14-5-3-2-4-13(14)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyQTDXXRQJVGTYRY-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 105406518
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 80637413
1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531179
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
CID 106533418
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
1,3-dichloro-5-[2-(trifluoromethyl)phenoxy]benzene
CID 154508539
1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106531281

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine (CID 106531188) is 1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine is CNCc1cc(F)cc(Oc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine?
The InChIKey is QTDXXRQJVGTYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-20-9-10-6-11(16)8-12(7-10)21-14-5-3-2-4-13(14)15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of 1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine?
1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine has a molecular weight of 299.27 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106531188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).