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

C16H19FN2O — CID 62296113

IUPACN-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1Oc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O/c1-4-18-10-15-11(2)9-12(3)19-16(15)20-14-7-5-13(17)6-8-14/h5-9,18H,4,10H2,1-3H3
InChIKeyISGARQOGIFNUQN-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.74
Rot. Bonds5

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

N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (PubChem CID 62296113) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
PubChem CID62296113
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1Oc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O/c1-4-18-10-15-11(2)9-12(3)19-16(15)20-14-7-5-13(17)6-8-14/h5-9,18H,4,10H2,1-3H3
InChIKeyISGARQOGIFNUQN-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-(2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62297821
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
1-[2-(3,5-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62783602
2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678648
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256704
1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62296968
1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 83234904
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (CID 62296113) is N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1Oc1ccc(F)cc1.
What is the InChIKey of N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is ISGARQOGIFNUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-4-18-10-15-11(2)9-12(3)19-16(15)20-14-7-5-13(17)6-8-14/h5-9,18H,4,10H2,1-3H3.
What are the key properties of N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
N-[[2-(4-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-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62296113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).