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

C14H20FNO2 — CID 63556969

IUPACN-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OC1CCOC1
InChIInChI=1S/C14H20FNO2/c1-3-16-10(2)13-5-4-11(15)8-14(13)18-12-6-7-17-9-12/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3
InChIKeyRFDWFCYYLFXOAL-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.66
Rot. Bonds5

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

N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine (PubChem CID 63556969) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
PubChem CID63556969
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OC1CCOC1
InChIInChI=1S/C14H20FNO2/c1-3-16-10(2)13-5-4-11(15)8-14(13)18-12-6-7-17-9-12/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3
InChIKeyRFDWFCYYLFXOAL-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 63556776
(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine
CID 107134501
N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine
CID 63640291
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 115669729
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
CID 63557845
N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497
1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
CID 107134357
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 114341296

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine (CID 63556969) is N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine is CCNC(C)c1ccc(F)cc1OC1CCOC1.
What is the InChIKey of N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine?
The InChIKey is RFDWFCYYLFXOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-16-10(2)13-5-4-11(15)8-14(13)18-12-6-7-17-9-12/h4-5,8,10,12,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine?
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine is sourced from PubChem (CID 63556969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).