N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine

C13H19FN2O2 — CID 105390729

IUPACN-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(OC2CCOCC2)c1F
InChIInChI=1S/C13H19FN2O2/c1-2-15-9-10-3-6-16-13(12(10)14)18-11-4-7-17-8-5-11/h3,6,11,15H,2,4-5,7-9H2,1H3
InChIKeyCOPXXHCAASNWIM-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.89
Rot. Bonds5

About N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine

N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 105390729) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
PubChem CID105390729
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(OC2CCOCC2)c1F
InChIInChI=1S/C13H19FN2O2/c1-2-15-9-10-3-6-16-13(12(10)14)18-11-4-7-17-8-5-11/h3,6,11,15H,2,4-5,7-9H2,1H3
InChIKeyCOPXXHCAASNWIM-UHFFFAOYSA-N
XLogP1.89
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105390723
N-[[3-fluoro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine
CID 105390828
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105390709
[3-fluoro-2-(oxolan-3-yloxy)-4-pyridinyl]methanol
CID 105383369
N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105391510
N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine
CID 105390746
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
CID 105388738
N-[[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391447
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389989
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185
N-[[3-fluoro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105390827
N-[[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 79892393

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine (CID 105390729) is N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(OC2CCOCC2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is COPXXHCAASNWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-15-9-10-3-6-16-13(12(10)14)18-11-4-7-17-8-5-11/h3,6,11,15H,2,4-5,7-9H2,1H3.
What are the key properties of N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine?
N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105390729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).