N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine

C15H17FN2O — CID 62073087

IUPACN-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1Oc1ccc(C)nc1
InChIInChI=1S/C15H17FN2O/c1-3-17-9-12-8-13(16)5-7-15(12)19-14-6-4-11(2)18-10-14/h4-8,10,17H,3,9H2,1-2H3
InChIKeyXVHJKZKQHRZTMB-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.43
Rot. Bonds5

About N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine

N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine (PubChem CID 62073087) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
PubChem CID62073087
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1Oc1ccc(C)nc1
InChIInChI=1S/C15H17FN2O/c1-3-17-9-12-8-13(16)5-7-15(12)19-14-6-4-11(2)18-10-14/h4-8,10,17H,3,9H2,1-2H3
InChIKeyXVHJKZKQHRZTMB-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031409
N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314185
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 83141064
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
CID 62073432
N-[[4-(2-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81254110
N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 62440305
N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43314145
3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229881
N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine
CID 114856955
N-[[5-fluoro-2-(2,4,5-trichlorophenoxy)phenyl]methyl]ethanamine
CID 43314088

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine (CID 62073087) is N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine is CCNCc1cc(F)ccc1Oc1ccc(C)nc1.
What is the InChIKey of N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine?
The InChIKey is XVHJKZKQHRZTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-3-17-9-12-8-13(16)5-7-15(12)19-14-6-4-11(2)18-10-14/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine?
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine has a molecular weight of 260.31 g/mol, XLogP of 3.43, 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-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 62073087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).