[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine

C16H19FN2O — CID 105391130

IUPAC[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
SMILESCC(C)(C)c1ccc(Oc2nccc(CN)c2F)cc1
InChIInChI=1S/C16H19FN2O/c1-16(2,3)12-4-6-13(7-5-12)20-15-14(17)11(10-18)8-9-19-15/h4-9H,10,18H2,1-3H3
InChIKeyLLYCPZSVMPEFGM-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.77
Rot. Bonds3

About [2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine

[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine (PubChem CID 105391130) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is [2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
PubChem CID105391130
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
SMILESCC(C)(C)c1ccc(Oc2nccc(CN)c2F)cc1
InChIInChI=1S/C16H19FN2O/c1-16(2,3)12-4-6-13(7-5-12)20-15-14(17)11(10-18)8-9-19-15/h4-9H,10,18H2,1-3H3
InChIKeyLLYCPZSVMPEFGM-UHFFFAOYSA-N
XLogP3.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
CID 105391741
[2-(difluoromethoxy)-3-fluoro-4-pyridinyl]methanamine
CID 168892634
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391433
[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine
CID 105390892
[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 107056201
[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
CID 43351770
N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105391187
[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
CID 105390800
[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
CID 107055931
[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 107055933

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine?
The IUPAC name of [2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine (CID 105391130) is [2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine is CC(C)(C)c1ccc(Oc2nccc(CN)c2F)cc1.
What is the InChIKey of [2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine?
The InChIKey is LLYCPZSVMPEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-16(2,3)12-4-6-13(7-5-12)20-15-14(17)11(10-18)8-9-19-15/h4-9H,10,18H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine?
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine has a molecular weight of 274.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine is sourced from PubChem (CID 105391130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).