N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine

C13H18FNO2 — CID 107695497

IUPACN-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OC1CCOC1
InChIInChI=1S/C13H18FNO2/c1-2-15-8-10-7-11(14)3-4-13(10)17-12-5-6-16-9-12/h3-4,7,12,15H,2,5-6,8-9H2,1H3
InChIKeyWMNVDLCIWNFDHP-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.10
Rot. Bonds5

About N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine

N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine (PubChem CID 107695497) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
PubChem CID107695497
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1OC1CCOC1
InChIInChI=1S/C13H18FNO2/c1-2-15-8-10-7-11(14)3-4-13(10)17-12-5-6-16-9-12/h3-4,7,12,15H,2,5-6,8-9H2,1H3
InChIKeyWMNVDLCIWNFDHP-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 107695883
1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107695044
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63673157
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
1-[5-fluoro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]-N-methylmethanamine
CID 107695140
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
2-methyl-N-[[5-nitro-2-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine
CID 63557350
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine (CID 107695497) is N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine is CCNCc1cc(F)ccc1OC1CCOC1.
What is the InChIKey of N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine?
The InChIKey is WMNVDLCIWNFDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-2-15-8-10-7-11(14)3-4-13(10)17-12-5-6-16-9-12/h3-4,7,12,15H,2,5-6,8-9H2,1H3.
What are the key properties of N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine?
N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine has a molecular weight of 239.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 107695497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).