N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine

C11H15FN2O — CID 105390746

IUPACN-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine
SMILESC=CCOc1nccc(CNCC)c1F
InChIInChI=1S/C11H15FN2O/c1-3-7-15-11-10(12)9(5-6-14-11)8-13-4-2/h3,5-6,13H,1,4,7-8H2,2H3
InChIKeyXVEGCULBRHXLQG-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.89
Rot. Bonds6

About N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine

N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine (PubChem CID 105390746) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine
PubChem CID105390746
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine
SMILESC=CCOc1nccc(CNCC)c1F
InChIInChI=1S/C11H15FN2O/c1-3-7-15-11-10(12)9(5-6-14-11)8-13-4-2/h3,5-6,13H,1,4,7-8H2,2H3
InChIKeyXVEGCULBRHXLQG-UHFFFAOYSA-N
XLogP1.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391563
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390420
N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391709
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185
N-[[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391447
N-[[2-(2,3-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391049
N-[[2-(3,4-dimethylphenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391166
N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
CID 105390729
N-[[3-fluoro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391100
N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391179
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine (CID 105390746) is N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine is C=CCOc1nccc(CNCC)c1F.
What is the InChIKey of N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine?
The InChIKey is XVEGCULBRHXLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-7-15-11-10(12)9(5-6-14-11)8-13-4-2/h3,5-6,13H,1,4,7-8H2,2H3.
What are the key properties of N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine?
N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine has a molecular weight of 210.25 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105390746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).