N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine

C16H19FN2O — CID 107457828

IUPACN-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COc2cccnc2C)c1
InChIInChI=1S/C16H19FN2O/c1-3-18-10-13-6-7-15(17)14(9-13)11-20-16-5-4-8-19-12(16)2/h4-9,18H,3,10-11H2,1-2H3
InChIKeyJBJLYDGIKXGNNV-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.22
Rot. Bonds6

About N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine

N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine (PubChem CID 107457828) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine
PubChem CID107457828
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COc2cccnc2C)c1
InChIInChI=1S/C16H19FN2O/c1-3-18-10-13-6-7-15(17)14(9-13)11-20-16-5-4-8-19-12(16)2/h4-9,18H,3,10-11H2,1-2H3
InChIKeyJBJLYDGIKXGNNV-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 107686850
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[4-fluoro-3-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
CID 107457779
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585
N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
N-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 71052508
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985
N-ethyl-2-[2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]ethanamine
CID 115465118
N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
CID 107457958
N-[[3-[(5-bromo-3-pyridinyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457738
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine (CID 107457828) is N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine is CCNCc1ccc(F)c(COc2cccnc2C)c1.
What is the InChIKey of N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine?
The InChIKey is JBJLYDGIKXGNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-18-10-13-6-7-15(17)14(9-13)11-20-16-5-4-8-19-12(16)2/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine?
N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine has a molecular weight of 274.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 107457828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).