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

C17H20FNO — CID 106533374

IUPAC2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1ccccc1Oc1cc(F)cc(CCN)c1
InChIInChI=1S/C17H20FNO/c1-12(2)16-5-3-4-6-17(16)20-15-10-13(7-8-19)9-14(18)11-15/h3-6,9-12H,7-8,19H2,1-2H3
InChIKeyRYRBAKZGDXKIPH-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.24
Rot. Bonds5

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

2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 106533374) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID106533374
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1ccccc1Oc1cc(F)cc(CCN)c1
InChIInChI=1S/C17H20FNO/c1-12(2)16-5-3-4-6-17(16)20-15-10-13(7-8-19)9-14(18)11-15/h3-6,9-12H,7-8,19H2,1-2H3
InChIKeyRYRBAKZGDXKIPH-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

Analyze 2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533283
2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803297
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533549
2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803808
[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol
CID 106530139
2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533423
2-[6-(2-propan-2-ylphenoxy)-3-pyridinyl]ethanamine
CID 80640158
3-(2-butan-2-ylphenoxy)-5-fluoroaniline
CID 80752812
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline
CID 106533464
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
CID 107087316

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine (CID 106533374) is 2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine is CC(C)c1ccccc1Oc1cc(F)cc(CCN)c1.
What is the InChIKey of 2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is RYRBAKZGDXKIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(2)16-5-3-4-6-17(16)20-15-10-13(7-8-19)9-14(18)11-15/h3-6,9-12H,7-8,19H2,1-2H3.
What are the key properties of 2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine?
2-[3-fluoro-5-(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-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 106533374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).