1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine

C17H20FNO — CID 43109317

IUPAC1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1cccc(Oc2cccc(F)c2C(C)N)c1
InChIInChI=1S/C17H20FNO/c1-11(2)13-6-4-7-14(10-13)20-16-9-5-8-15(18)17(16)12(3)19/h4-12H,19H2,1-3H3
InChIKeyHWHMITVNTWAMKY-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.76
Rot. Bonds4

About 1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine

1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 43109317) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID43109317
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1cccc(Oc2cccc(F)c2C(C)N)c1
InChIInChI=1S/C17H20FNO/c1-11(2)13-6-4-7-14(10-13)20-16-9-5-8-15(18)17(16)12(3)19/h4-12H,19H2,1-3H3
InChIKeyHWHMITVNTWAMKY-UHFFFAOYSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
2-(bromomethyl)-1-fluoro-3-(3-propan-2-ylphenoxy)benzene
CID 114065527
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
CID 43188982
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine (CID 43109317) is 1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine is CC(C)c1cccc(Oc2cccc(F)c2C(C)N)c1.
What is the InChIKey of 1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is HWHMITVNTWAMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11(2)13-6-4-7-14(10-13)20-16-9-5-8-15(18)17(16)12(3)19/h4-12H,19H2,1-3H3.
What are the key properties of 1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine?
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43109317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).