[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine

C16H25F3N2O — CID 58873485

IUPAC[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCCCC(CCCC)Oc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C16H25F3N2O/c1-3-5-7-13(8-6-4-2)22-15-12(11-20)9-10-14(21-15)16(17,18)19/h9-10,13H,3-8,11,20H2,1-2H3
InChIKeyUTLZXVDCWCZTJR-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.69
Rot. Bonds9

About [2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 58873485) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is [2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID58873485
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC Name[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCCCC(CCCC)Oc1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C16H25F3N2O/c1-3-5-7-13(8-6-4-2)22-15-12(11-20)9-10-14(21-15)16(17,18)19/h9-10,13H,3-8,11,20H2,1-2H3
InChIKeyUTLZXVDCWCZTJR-UHFFFAOYSA-N
XLogP4.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

exo-(1R,5S)-3-(6-phenylpyridin-2-yloxy)-8-azabicyclo[3.2.1]octane
CID 53323531
2-Methyl-6-phenylmethoxypyridine
CID 261829
US11072585, Example 57
CID 122516911
[2-(3-Phenylphenoxy)-6-(trifluoromethyl)pyridin-4-yl]methanamine
CID 122516950
(2-Methoxy-4,6-dimethylpyridin-3-yl)methanamine
CID 28064222
[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
(6-(Tert-butoxy)pyridin-2-yl)methanamine
CID 62290744
2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
2-[2-(Dimethylamino)ethyl]-4,8-dimethyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione
CID 13726629
2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
3-Cyano-2-ethoxy-6-methylpyridine
CID 10964826
2-Isopropoxy-6-methyl-nicotinonitrile
CID 21604363

Frequently Asked Questions

What is the IUPAC name of [2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 58873485) is [2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine is CCCCC(CCCC)Oc1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is UTLZXVDCWCZTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O/c1-3-5-7-13(8-6-4-2)22-15-12(11-20)9-10-14(21-15)16(17,18)19/h9-10,13H,3-8,11,20H2,1-2H3.
What are the key properties of [2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 318.38 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nonan-5-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 58873485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).