(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine

C12H16FNO2 — CID 63559068

IUPAC(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1OC1CCOC1
InChIInChI=1S/C12H16FNO2/c1-8(14)12-10(13)3-2-4-11(12)16-9-5-6-15-7-9/h2-4,8-9H,5-7,14H2,1H3/t8-,9?/m1/s1
InChIKeyKYXZJKKSVINKRA-VEDVMXKPSA-N
MW225.26 g/mol
LogP2.01
Rot. Bonds3

About (1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine

(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine (PubChem CID 63559068) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine
PubChem CID63559068
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1OC1CCOC1
InChIInChI=1S/C12H16FNO2/c1-8(14)12-10(13)3-2-4-11(12)16-9-5-6-15-7-9/h2-4,8-9H,5-7,14H2,1H3/t8-,9?/m1/s1
InChIKeyKYXZJKKSVINKRA-VEDVMXKPSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 43189015
(1R)-1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 55183517
(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 63556776
2-methyl-3-(oxolan-3-yloxy)phenol
CID 63556982
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine (CID 63559068) is (1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine is C[C@@H](N)c1c(F)cccc1OC1CCOC1.
What is the InChIKey of (1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine?
The InChIKey is KYXZJKKSVINKRA-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(14)12-10(13)3-2-4-11(12)16-9-5-6-15-7-9/h2-4,8-9H,5-7,14H2,1H3/t8-,9?/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine?
(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine has a molecular weight of 225.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine is sourced from PubChem (CID 63559068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).