2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine

C17H20FNO2 — CID 63815036

IUPAC2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
SMILESCCCOc1ccc(Oc2ccc(F)cc2CCN)cc1
InChIInChI=1S/C17H20FNO2/c1-2-11-20-15-4-6-16(7-5-15)21-17-8-3-14(18)12-13(17)9-10-19/h3-8,12H,2,9-11,19H2,1H3
InChIKeyWGYZFWHPPURCIA-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.91
Rot. Bonds7

About 2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine

2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine (PubChem CID 63815036) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
PubChem CID63815036
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
SMILESCCCOc1ccc(Oc2ccc(F)cc2CCN)cc1
InChIInChI=1S/C17H20FNO2/c1-2-11-20-15-4-6-16(7-5-15)21-17-8-3-14(18)12-13(17)9-10-19/h3-8,12H,2,9-11,19H2,1H3
InChIKeyWGYZFWHPPURCIA-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
[5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol
CID 43313473
2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
CID 107700188
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
CID 63802635
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine
CID 63803303
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine (CID 63815036) is 2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine is CCCOc1ccc(Oc2ccc(F)cc2CCN)cc1.
What is the InChIKey of 2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine?
The InChIKey is WGYZFWHPPURCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-11-20-15-4-6-16(7-5-15)21-17-8-3-14(18)12-13(17)9-10-19/h3-8,12H,2,9-11,19H2,1H3.
What are the key properties of 2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine?
2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63815036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).