N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

C16H19FN2O — CID 62297821

IUPACN-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1Oc1ccccc1F
InChIInChI=1S/C16H19FN2O/c1-4-18-10-13-11(2)9-12(3)19-16(13)20-15-8-6-5-7-14(15)17/h5-9,18H,4,10H2,1-3H3
InChIKeyIQETXWIEDUKQKV-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.74
Rot. Bonds5

About N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (PubChem CID 62297821) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
PubChem CID62297821
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1Oc1ccccc1F
InChIInChI=1S/C16H19FN2O/c1-4-18-10-13-11(2)9-12(3)19-16(13)20-15-8-6-5-7-14(15)17/h5-9,18H,4,10H2,1-3H3
InChIKeyIQETXWIEDUKQKV-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296113
N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296558
N-[[2-(3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296699
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669
N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62292538
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
CID 62288244
3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine
CID 61267878
2-(2-fluorophenoxy)-4,6-dimethylpyrimidine
CID 671376
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 62287173
N-[[4,6-dimethyl-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]ethanamine
CID 62292298
N-[(2-but-2-enoxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 76938399
[2-(2-fluoro-5-methylphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 64853800

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (CID 62297821) is N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1Oc1ccccc1F.
What is the InChIKey of N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is IQETXWIEDUKQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-4-18-10-13-11(2)9-12(3)19-16(13)20-15-8-6-5-7-14(15)17/h5-9,18H,4,10H2,1-3H3.
What are the key properties of N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 274.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62297821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).