N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine

C13H19FN2O — CID 103786183

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NC(C)C1CCOC1)c1cncc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(11-3-4-17-8-11)16-10(2)12-5-13(14)7-15-6-12/h5-7,9-11,16H,3-4,8H2,1-2H3
InChIKeyMOELYUJMAXJDCQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.30
Rot. Bonds4

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 103786183) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine
PubChem CID103786183
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NC(C)C1CCOC1)c1cncc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(11-3-4-17-8-11)16-10(2)12-5-13(14)7-15-6-12/h5-7,9-11,16H,3-4,8H2,1-2H3
InChIKeyMOELYUJMAXJDCQ-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211
1-(5-fluoro-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424527
N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115723445
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 115704677
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline
CID 115723946
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115713183
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 103777480
1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 115714685
5-bromo-N-[1-(oxolan-3-yl)ethyl]pyridin-3-amine
CID 115922851

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine (CID 103786183) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine is CC(NC(C)C1CCOC1)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is MOELYUJMAXJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(11-3-4-17-8-11)16-10(2)12-5-13(14)7-15-6-12/h5-7,9-11,16H,3-4,8H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 238.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 103786183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).