2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine

C17H20FNO — CID 106533283

IUPAC2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1ccc(Oc2cc(F)cc(CCN)c2)cc1
InChIInChI=1S/C17H20FNO/c1-12(2)14-3-5-16(6-4-14)20-17-10-13(7-8-19)9-15(18)11-17/h3-6,9-12H,7-8,19H2,1-2H3
InChIKeyXPDBBHORVLALSR-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.24
Rot. Bonds5

About 2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine

2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 106533283) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID106533283
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1ccc(Oc2cc(F)cc(CCN)c2)cc1
InChIInChI=1S/C17H20FNO/c1-12(2)14-3-5-16(6-4-14)20-17-10-13(7-8-19)9-15(18)11-17/h3-6,9-12H,7-8,19H2,1-2H3
InChIKeyXPDBBHORVLALSR-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-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533423
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533374
2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533565
3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline
CID 106533464
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533549
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
1-[4-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63802154
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
CID 106533557
2-[3-fluoro-5-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533561
1-ethyl-4-(4-propan-2-ylphenoxy)benzene
CID 66612955
4-(3-chloro-5-fluorophenoxy)aniline
CID 67236679

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine (CID 106533283) is 2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine is CC(C)c1ccc(Oc2cc(F)cc(CCN)c2)cc1.
What is the InChIKey of 2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is XPDBBHORVLALSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(2)14-3-5-16(6-4-14)20-17-10-13(7-8-19)9-15(18)11-17/h3-6,9-12H,7-8,19H2,1-2H3.
What are the key properties of 2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine?
2-[3-fluoro-5-(4-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-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 106533283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).