N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine

C16H19FN2O — CID 106908554

IUPACN-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2ccc(F)c(C)c2)n1
InChIInChI=1S/C16H19FN2O/c1-3-18-10-13-5-4-6-14(19-13)11-20-15-7-8-16(17)12(2)9-15/h4-9,18H,3,10-11H2,1-2H3
InChIKeyOZIFPEWXFIEHLH-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.22
Rot. Bonds6

About N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106908554) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106908554
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2ccc(F)c(C)c2)n1
InChIInChI=1S/C16H19FN2O/c1-3-18-10-13-5-4-6-14(19-13)11-20-15-7-8-16(17)12(2)9-15/h4-9,18H,3,10-11H2,1-2H3
InChIKeyOZIFPEWXFIEHLH-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-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908616
N-[[6-[(2-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 107661247
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908243
N-[[6-[(2-fluorophenyl)methoxymethyl]-2-pyridinyl]methyl]ethanamine
CID 106908363
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908205
N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55257457
[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908225
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908714
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine (CID 106908554) is N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(COc2ccc(F)c(C)c2)n1.
What is the InChIKey of N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is OZIFPEWXFIEHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-18-10-13-5-4-6-14(19-13)11-20-15-7-8-16(17)12(2)9-15/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]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-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106908554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).