1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine

C15H17FN2O — CID 62074641

IUPAC1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Oc1ccc(C)nc1
InChIInChI=1S/C15H17FN2O/c1-10-7-8-12(9-18-10)19-14-6-4-5-13(16)15(14)11(2)17-3/h4-9,11,17H,1-3H3
InChIKeyPIAUMINCHXIHKD-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.60
Rot. Bonds4

About 1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine

1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine (PubChem CID 62074641) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
PubChem CID62074641
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Oc1ccc(C)nc1
InChIInChI=1S/C15H17FN2O/c1-10-7-8-12(9-18-10)19-14-6-4-5-13(16)15(14)11(2)17-3/h4-9,11,17H,1-3H3
InChIKeyPIAUMINCHXIHKD-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83123940
1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
CID 83140639
[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 79517236
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
2-[4-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]phenyl]acetonitrile
CID 43285331
1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
CID 66277200
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine
CID 63036952
1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285267
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83127027

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine (CID 62074641) is 1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Oc1ccc(C)nc1.
What is the InChIKey of 1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine?
The InChIKey is PIAUMINCHXIHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-7-8-12(9-18-10)19-14-6-4-5-13(16)15(14)11(2)17-3/h4-9,11,17H,1-3H3.
What are the key properties of 1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine?
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine has a molecular weight of 260.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 62074641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).