3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine

C12H15F4NO — CID 102747245

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)COc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F4NO/c1-8(6-17-2)7-18-9-3-4-11(13)10(5-9)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3
InChIKeyQMYNONWLUDCCGM-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.08
Rot. Bonds5

About 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine

3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine (PubChem CID 102747245) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine
PubChem CID102747245
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)COc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F4NO/c1-8(6-17-2)7-18-9-3-4-11(13)10(5-9)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3
InChIKeyQMYNONWLUDCCGM-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-2-methylpropoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 102747048
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 102747179
N,2-dimethyl-3-naphthalen-2-yloxypropan-1-amine
CID 62459950
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
CID 102747392
3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62486090
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
CID 102747632
2-ethoxy-3-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 102747684
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 102747539
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 102747422
4-(4-bromobutoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 102747039
2-ethoxy-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
CID 102747527

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine (CID 102747245) is 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine is CNCC(C)COc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine?
The InChIKey is QMYNONWLUDCCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-8(6-17-2)7-18-9-3-4-11(13)10(5-9)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine?
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine has a molecular weight of 265.25 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 102747245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).