N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine

C14H19F4NO2 — CID 107688368

IUPACN-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCCOC(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F4NO2/c1-13(2,3)19-9-10-4-5-12(11(15)8-10)20-6-7-21-14(16,17)18/h4-5,8,19H,6-7,9H2,1-3H3
InChIKeyJWZCWVNJSULYDL-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.63
Rot. Bonds6

About N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine

N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107688368) has the molecular formula C14H19F4NO2 and a molecular weight of 309.30 g/mol. Its IUPAC name is N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID107688368
Molecular FormulaC14H19F4NO2
Molecular Weight309.30 g/mol
Exact Mass309.14
IUPAC NameN-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCCOC(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F4NO2/c1-13(2,3)19-9-10-4-5-12(11(15)8-10)20-6-7-21-14(16,17)18/h4-5,8,19H,6-7,9H2,1-3H3
InChIKeyJWZCWVNJSULYDL-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107688351
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 107688661
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688455
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]propane-1,2-diol
CID 107688548
N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107688427
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891161
N-[(4-cyclohexyloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688391
1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
CID 107688365

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 107688368) is N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OCCOC(F)(F)F)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is JWZCWVNJSULYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO2/c1-13(2,3)19-9-10-4-5-12(11(15)8-10)20-6-7-21-14(16,17)18/h4-5,8,19H,6-7,9H2,1-3H3.
What are the key properties of N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 309.30 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107688368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).