2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine

C13H18FNO2 — CID 112615119

IUPAC2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCC1CCOC1
InChIInChI=1S/C13H18FNO2/c14-12-3-1-2-11(4-6-15)13(12)17-9-10-5-7-16-8-10/h1-3,10H,4-9,15H2
InChIKeyCWSWMEYJYGCCLO-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.74
Rot. Bonds5

About 2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine

2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine (PubChem CID 112615119) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
PubChem CID112615119
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cccc(F)c1OCC1CCOC1
InChIInChI=1S/C13H18FNO2/c14-12-3-1-2-11(4-6-15)13(12)17-9-10-5-7-16-8-10/h1-3,10H,4-9,15H2
InChIKeyCWSWMEYJYGCCLO-UHFFFAOYSA-N
XLogP1.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272
N-[[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610674
2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine
CID 115024262
2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine
CID 106930366
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977002
1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115958778
[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 79886568
(E)-3-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 112614259
2-[3,5-dibromo-4-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 107739535
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine (CID 112615119) is 2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine is NCCc1cccc(F)c1OCC1CCOC1.
What is the InChIKey of 2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is CWSWMEYJYGCCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-12-3-1-2-11(4-6-15)13(12)17-9-10-5-7-16-8-10/h1-3,10H,4-9,15H2.
What are the key properties of 2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 239.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 112615119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).