1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine

C12H18FNO — CID 43128559

IUPAC1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1OC(C)(C)C
InChIInChI=1S/C12H18FNO/c1-8(14)11-9(13)6-5-7-10(11)15-12(2,3)4/h5-8H,14H2,1-4H3
InChIKeyBEXMBONZITYLTE-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.02
Rot. Bonds2

About 1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine

1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine (PubChem CID 43128559) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
PubChem CID43128559
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1OC(C)(C)C
InChIInChI=1S/C12H18FNO/c1-8(14)11-9(13)6-5-7-10(11)15-12(2,3)4/h5-8H,14H2,1-4H3
InChIKeyBEXMBONZITYLTE-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
(1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine
CID 102722399
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
(1S)-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788790
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
1-[2-(2-chloro-4-methylphenoxy)-6-fluorophenyl]ethanamine
CID 62671655
(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine
CID 78938210
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine (CID 43128559) is 1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine is CC(N)c1c(F)cccc1OC(C)(C)C.
What is the InChIKey of 1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
The InChIKey is BEXMBONZITYLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(14)11-9(13)6-5-7-10(11)15-12(2,3)4/h5-8H,14H2,1-4H3.
What are the key properties of 1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine?
1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine has a molecular weight of 211.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine is sourced from PubChem (CID 43128559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).