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

C14H19F4N — CID 115854344

IUPACN-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc(F)c(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C14H19F4N/c1-5-19-12(13(2,3)4)9-6-7-11(15)10(8-9)14(16,17)18/h6-8,12,19H,5H2,1-4H3
InChIKeyURRFXYZYVFDQJR-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.54
Rot. Bonds3

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

N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine (PubChem CID 115854344) has the molecular formula C14H19F4N and a molecular weight of 277.31 g/mol. Its IUPAC name is N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
PubChem CID115854344
Molecular FormulaC14H19F4N
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC NameN-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc(F)c(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C14H19F4N/c1-5-19-12(13(2,3)4)9-6-7-11(15)10(8-9)14(16,17)18/h6-8,12,19H,5H2,1-4H3
InChIKeyURRFXYZYVFDQJR-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 66205361
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
CID 71056767
N-[(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107291929
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 107292604
1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854226
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(5-iodothiophen-3-yl)methyl]ethanamine
CID 107291883
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine
CID 107288759
N-ethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 107290717
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 79197452
3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107288813

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine (CID 115854344) is N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine is CCNC(c1ccc(F)c(C(F)(F)F)c1)C(C)(C)C.
What is the InChIKey of N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
The InChIKey is URRFXYZYVFDQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N/c1-5-19-12(13(2,3)4)9-6-7-11(15)10(8-9)14(16,17)18/h6-8,12,19H,5H2,1-4H3.
What are the key properties of N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 115854344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).