2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine

C13H18FNO2 — CID 104794025

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
SMILESCOc1cccc(CC(N)C2CCOC2)c1F
InChIInChI=1S/C13H18FNO2/c1-16-12-4-2-3-9(13(12)14)7-11(15)10-5-6-17-8-10/h2-4,10-11H,5-8,15H2,1H3
InChIKeyUWIFRBNUHWHXTL-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.74
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine

2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 104794025) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
PubChem CID104794025
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
SMILESCOc1cccc(CC(N)C2CCOC2)c1F
InChIInChI=1S/C13H18FNO2/c1-16-12-4-2-3-9(13(12)14)7-11(15)10-5-6-17-8-10/h2-4,10-11H,5-8,15H2,1H3
InChIKeyUWIFRBNUHWHXTL-UHFFFAOYSA-N
XLogP1.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104794033
2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
CID 65330516
2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine
CID 104794195
1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794252
1-(2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794253
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine
CID 116771238
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105255263
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794151
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469229

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine (CID 104794025) is 2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine is COc1cccc(CC(N)C2CCOC2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is UWIFRBNUHWHXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-12-4-2-3-9(13(12)14)7-11(15)10-5-6-17-8-10/h2-4,10-11H,5-8,15H2,1H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine?
2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 239.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104794025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).