1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine

C14H12F3N — CID 54910225

IUPAC1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine
SMILESCC(N)c1cccc(-c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C14H12F3N/c1-8(18)9-3-2-4-10(5-9)14-12(16)6-11(15)7-13(14)17/h2-8H,18H2,1H3
InChIKeyHFZMNHDGIQNGGA-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.79
Rot. Bonds2

About 1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine

1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine (PubChem CID 54910225) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine
PubChem CID54910225
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine
SMILESCC(N)c1cccc(-c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C14H12F3N/c1-8(18)9-3-2-4-10(5-9)14-12(16)6-11(15)7-13(14)17/h2-8H,18H2,1H3
InChIKeyHFZMNHDGIQNGGA-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 61034165
1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911563
1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114731929
1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine
CID 61032618
1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
CID 82812526
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine
CID 106882319

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine (CID 54910225) is 1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine is CC(N)c1cccc(-c2c(F)cc(F)cc2F)c1.
What is the InChIKey of 1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine?
The InChIKey is HFZMNHDGIQNGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-8(18)9-3-2-4-10(5-9)14-12(16)6-11(15)7-13(14)17/h2-8H,18H2,1H3.
What are the key properties of 1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine?
1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine is sourced from PubChem (CID 54910225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).