N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine

C11H13F4N — CID 66205361

IUPACN-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)C(F)(F)F
InChIInChI=1S/C11H13F4N/c1-3-16-10(11(13,14)15)8-5-4-7(2)9(12)6-8/h4-6,10,16H,3H2,1-2H3
InChIKeyCQMRFTMCOOTKQW-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.35
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine

N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 66205361) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID66205361
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)C(F)(F)F
InChIInChI=1S/C11H13F4N/c1-3-16-10(11(13,14)15)8-5-4-7(2)9(12)6-8/h4-6,10,16H,3H2,1-2H3
InChIKeyCQMRFTMCOOTKQW-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.35
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-methylphenyl)butan-1-amine
CID 60818536
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43488624
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
N-ethyl-2,2,2-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)ethanamine
CID 83057070
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine (CID 66205361) is N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine is CCNC(c1ccc(C)c(F)c1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is CQMRFTMCOOTKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-3-16-10(11(13,14)15)8-5-4-7(2)9(12)6-8/h4-6,10,16H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 235.22 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 66205361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).