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

C14H20FNO2 — CID 107134560

IUPACN-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(OC2CCCOC2)c1
InChIInChI=1S/C14H20FNO2/c1-2-16-9-11-6-12(15)8-14(7-11)18-13-4-3-5-17-10-13/h6-8,13,16H,2-5,9-10H2,1H3
InChIKeyBRFNKUFFWUICAH-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.49
Rot. Bonds5

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

N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine (PubChem CID 107134560) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine
PubChem CID107134560
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(OC2CCCOC2)c1
InChIInChI=1S/C14H20FNO2/c1-2-16-9-11-6-12(15)8-14(7-11)18-13-4-3-5-17-10-13/h6-8,13,16H,2-5,9-10H2,1H3
InChIKeyBRFNKUFFWUICAH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 107134472
4-[3-fluoro-5-(oxan-3-yloxy)phenyl]but-3-yn-1-ol
CID 107137047
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533327
N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 107695497
N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 79892393
N-[[3-fluoro-5-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]ethanamine
CID 106534270
N-[[3-bromo-2-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134326
1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107695044
N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine
CID 107689071

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine (CID 107134560) is N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine is CCNCc1cc(F)cc(OC2CCCOC2)c1.
What is the InChIKey of N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine?
The InChIKey is BRFNKUFFWUICAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-16-9-11-6-12(15)8-14(7-11)18-13-4-3-5-17-10-13/h6-8,13,16H,2-5,9-10H2,1H3.
What are the key properties of N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine?
N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(oxan-3-yloxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 107134560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).