1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine

C16H19FN2O — CID 102980496

IUPAC1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine
SMILESCCC(N)C(Oc1cc(F)ccc1C)c1ccncc1
InChIInChI=1S/C16H19FN2O/c1-3-14(18)16(12-6-8-19-9-7-12)20-15-10-13(17)5-4-11(15)2/h4-10,14,16H,3,18H2,1-2H3
InChIKeyWCOSGBHDQXIRDQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.39
Rot. Bonds5

About 1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine

1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine (PubChem CID 102980496) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine
PubChem CID102980496
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine
SMILESCCC(N)C(Oc1cc(F)ccc1C)c1ccncc1
InChIInChI=1S/C16H19FN2O/c1-3-14(18)16(12-6-8-19-9-7-12)20-15-10-13(17)5-4-11(15)2/h4-10,14,16H,3,18H2,1-2H3
InChIKeyWCOSGBHDQXIRDQ-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 63269237
1-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073
1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine
CID 63461965
1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
CID 63036389
2-(5-fluoro-2-methylphenoxy)pentan-3-ol
CID 102983322
1-(4-fluorophenyl)-1-phenoxybutan-2-amine
CID 55015456
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine (CID 102980496) is 1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine is CCC(N)C(Oc1cc(F)ccc1C)c1ccncc1.
What is the InChIKey of 1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine?
The InChIKey is WCOSGBHDQXIRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-14(18)16(12-6-8-19-9-7-12)20-15-10-13(17)5-4-11(15)2/h4-10,14,16H,3,18H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine?
1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine has a molecular weight of 274.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 102980496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).