1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine

C17H20FNO — CID 43118097

IUPAC1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine
SMILESCc1cc(C)c(C)c(Oc2ccc(F)cc2C(C)N)c1
InChIInChI=1S/C17H20FNO/c1-10-7-11(2)12(3)17(8-10)20-16-6-5-14(18)9-15(16)13(4)19/h5-9,13H,19H2,1-4H3
InChIKeySDICHVLOHIQYPD-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.56
Rot. Bonds3

About 1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine

1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine (PubChem CID 43118097) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine
PubChem CID43118097
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine
SMILESCc1cc(C)c(C)c(Oc2ccc(F)cc2C(C)N)c1
InChIInChI=1S/C17H20FNO/c1-10-7-11(2)12(3)17(8-10)20-16-6-5-14(18)9-15(16)13(4)19/h5-9,13H,19H2,1-4H3
InChIKeySDICHVLOHIQYPD-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
CID 78938414
(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
CID 29275289
[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 43314321
1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63649355
(1S)-1-[2-(4-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 28971365
(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
CID 103959280
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 104940716
5-fluoro-N'-hydroxy-2-(2,3,5-trimethylphenoxy)benzenecarboximidamide
CID 77004548
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340
1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81331401
2-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-6-fluorobenzonitrile
CID 78938120
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine (CID 43118097) is 1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine is Cc1cc(C)c(C)c(Oc2ccc(F)cc2C(C)N)c1.
What is the InChIKey of 1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine?
The InChIKey is SDICHVLOHIQYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-10-7-11(2)12(3)17(8-10)20-16-6-5-14(18)9-15(16)13(4)19/h5-9,13H,19H2,1-4H3.
What are the key properties of 1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine?
1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43118097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).