1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine

C13H18FNO2 — CID 63556776

IUPAC1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1OC1CCOC1
InChIInChI=1S/C13H18FNO2/c1-9(15-2)12-4-3-10(14)7-13(12)17-11-5-6-16-8-11/h3-4,7,9,11,15H,5-6,8H2,1-2H3
InChIKeyKFGVJBOVPYNMQJ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.27
Rot. Bonds4

About 1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine

1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine (PubChem CID 63556776) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
PubChem CID63556776
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1OC1CCOC1
InChIInChI=1S/C13H18FNO2/c1-9(15-2)12-4-3-10(14)7-13(12)17-11-5-6-16-8-11/h3-4,7,9,11,15H,5-6,8H2,1-2H3
InChIKeyKFGVJBOVPYNMQJ-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
1-[4-bromo-2-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 107134569
N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61287998
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine
CID 63640291
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine
CID 63559068
N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine (CID 63556776) is 1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(F)cc1OC1CCOC1.
What is the InChIKey of 1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine?
The InChIKey is KFGVJBOVPYNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(15-2)12-4-3-10(14)7-13(12)17-11-5-6-16-8-11/h3-4,7,9,11,15H,5-6,8H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine?
1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine has a molecular weight of 239.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 63556776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).