N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine

C15H23FN2O2 — CID 116765908

IUPACN-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(F)c1)C1(OCC)CCOCC1
InChIInChI=1S/C15H23FN2O2/c1-3-18-14(12-9-13(16)11-17-10-12)15(20-4-2)5-7-19-8-6-15/h9-11,14,18H,3-8H2,1-2H3
InChIKeyFHZXSYIJXPFPPG-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.46
Rot. Bonds6

About N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine

N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine (PubChem CID 116765908) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
PubChem CID116765908
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(F)c1)C1(OCC)CCOCC1
InChIInChI=1S/C15H23FN2O2/c1-3-18-14(12-9-13(16)11-17-10-12)15(20-4-2)5-7-19-8-6-15/h9-11,14,18H,3-8H2,1-2H3
InChIKeyFHZXSYIJXPFPPG-UHFFFAOYSA-N
XLogP2.46
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 116770894
[(1-ethoxycycloheptyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105278498
N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765061
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 116765942
N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 116765796
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765825
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765938
N-[(1-ethoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 116767269
N-[2,3-dihydrofuran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 102652255

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine (CID 116765908) is N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(F)c1)C1(OCC)CCOCC1.
What is the InChIKey of N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The InChIKey is FHZXSYIJXPFPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-3-18-14(12-9-13(16)11-17-10-12)15(20-4-2)5-7-19-8-6-15/h9-11,14,18H,3-8H2,1-2H3.
What are the key properties of N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine has a molecular weight of 282.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 116765908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).