(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine

C12H16FNO2 — CID 63558652

IUPAC(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OC2CCOC2)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-8(14)9-2-3-12(11(13)6-9)16-10-4-5-15-7-10/h2-3,6,8,10H,4-5,7,14H2,1H3/t8-,10?/m1/s1
InChIKeyUZKMCZPPJYJTEG-HNHGDDPOSA-N
MW225.26 g/mol
LogP2.01
Rot. Bonds3

About (1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine

(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine (PubChem CID 63558652) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
PubChem CID63558652
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OC2CCOC2)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-8(14)9-2-3-12(11(13)6-9)16-10-4-5-15-7-10/h2-3,6,8,10H,4-5,7,14H2,1H3/t8-,10?/m1/s1
InChIKeyUZKMCZPPJYJTEG-HNHGDDPOSA-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

1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
CID 64729201
(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine
CID 63559068
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
CID 63559449
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine (CID 63558652) is (1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine is C[C@@H](N)c1ccc(OC2CCOC2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine?
The InChIKey is UZKMCZPPJYJTEG-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(14)9-2-3-12(11(13)6-9)16-10-4-5-15-7-10/h2-3,6,8,10H,4-5,7,14H2,1H3/t8-,10?/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine?
(1R)-1-[3-fluoro-4-(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-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine is sourced from PubChem (CID 63558652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).