2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine

C17H20FNO — CID 63803297

IUPAC2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1ccccc1Oc1ccc(F)cc1CCN
InChIInChI=1S/C17H20FNO/c1-12(2)15-5-3-4-6-17(15)20-16-8-7-14(18)11-13(16)9-10-19/h3-8,11-12H,9-10,19H2,1-2H3
InChIKeyCAMCGDKQECXIKV-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.24
Rot. Bonds5

About 2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine

2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 63803297) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID63803297
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1ccccc1Oc1ccc(F)cc1CCN
InChIInChI=1S/C17H20FNO/c1-12(2)15-5-3-4-6-17(15)20-16-8-7-14(18)11-13(16)9-10-19/h3-8,11-12H,9-10,19H2,1-2H3
InChIKeyCAMCGDKQECXIKV-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
CID 63815572
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533374
2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803808
2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 20989901
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
CID 28947258
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
CID 63802635
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine (CID 63803297) is 2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine is CC(C)c1ccccc1Oc1ccc(F)cc1CCN.
What is the InChIKey of 2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is CAMCGDKQECXIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(2)15-5-3-4-6-17(15)20-16-8-7-14(18)11-13(16)9-10-19/h3-8,11-12H,9-10,19H2,1-2H3.
What are the key properties of 2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine?
2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63803297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).