N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine

C12H17FN2O2 — CID 114035738

IUPACN-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)cnc1OC1COC1
InChIInChI=1S/C12H17FN2O2/c1-8(2)14-4-9-3-10(13)5-15-12(9)17-11-6-16-7-11/h3,5,8,11,14H,4,6-7H2,1-2H3
InChIKeyDJPMLJLSRVAVQU-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.50
Rot. Bonds5

About N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine

N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 114035738) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID114035738
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)cnc1OC1COC1
InChIInChI=1S/C12H17FN2O2/c1-8(2)14-4-9-3-10(13)5-15-12(9)17-11-6-16-7-11/h3,5,8,11,14H,4,6-7H2,1-2H3
InChIKeyDJPMLJLSRVAVQU-UHFFFAOYSA-N
XLogP1.50
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 114035146
N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine
CID 102607873
2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine
CID 139373359
N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 114035526
N-[[1-(oxetan-3-yloxy)isoquinolin-3-yl]methyl]propan-2-amine
CID 102608007
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
[2-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-3-pyridinyl]methanol
CID 114034719
N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62783784
N-[[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
CID 102607974
N-[[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]ethanamine
CID 63557699
N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254203
N-[[6-(oxolan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 63556915

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine (CID 114035738) is N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(F)cnc1OC1COC1.
What is the InChIKey of N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is DJPMLJLSRVAVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(2)14-4-9-3-10(13)5-15-12(9)17-11-6-16-7-11/h3,5,8,11,14H,4,6-7H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 240.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114035738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).