1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine

C16H19FN2O — CID 107171083

IUPAC1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1ccc(Oc2ncc(CC(C)N)cc2C)cc1F
InChIInChI=1S/C16H19FN2O/c1-10-4-5-14(8-15(10)17)20-16-11(2)6-13(9-19-16)7-12(3)18/h4-6,8-9,12H,7,18H2,1-3H3
InChIKeyWUIVGWKGNIOFBI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.52
Rot. Bonds4

About 1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine

1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine (PubChem CID 107171083) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
PubChem CID107171083
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1ccc(Oc2ncc(CC(C)N)cc2C)cc1F
InChIInChI=1S/C16H19FN2O/c1-10-4-5-14(8-15(10)17)20-16-11(2)6-13(9-19-16)7-12(3)18/h4-6,8-9,12H,7,18H2,1-3H3
InChIKeyWUIVGWKGNIOFBI-UHFFFAOYSA-N
XLogP3.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80640430
N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 107169889
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988
1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639516
[5-chloro-6-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methanol
CID 107170106
N-[[6-(4-chloro-3-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82718259
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
[6-(4-bromo-3-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628936
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056793
N-[[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 83232522
[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628087
[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
CID 80636065

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine (CID 107171083) is 1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine is Cc1ccc(Oc2ncc(CC(C)N)cc2C)cc1F.
What is the InChIKey of 1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The InChIKey is WUIVGWKGNIOFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10-4-5-14(8-15(10)17)20-16-11(2)6-13(9-19-16)7-12(3)18/h4-6,8-9,12H,7,18H2,1-3H3.
What are the key properties of 1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine has a molecular weight of 274.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 107171083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).