N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine

C18H16FN3O — CID 133482546

IUPACN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCc2ccc(Oc3cccc(F)c3)nc2)n1
InChIInChI=1S/C18H16FN3O/c1-13-4-2-7-17(22-13)20-11-14-8-9-18(21-12-14)23-16-6-3-5-15(19)10-16/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyPPXSVWJZIGAZPA-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.33
Rot. Bonds5

About N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine (PubChem CID 133482546) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine
PubChem CID133482546
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCc2ccc(Oc3cccc(F)c3)nc2)n1
InChIInChI=1S/C18H16FN3O/c1-13-4-2-7-17(22-13)20-11-14-8-9-18(21-12-14)23-16-6-3-5-15(19)10-16/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyPPXSVWJZIGAZPA-UHFFFAOYSA-N
XLogP4.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970707
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111875939
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56573983
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methylsulfonyl-2-nitroaniline
CID 133393864
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 109431757
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360984
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111249543
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
tert-butyl N-[2-[[N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883558
1-butyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111151288

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine (CID 133482546) is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine is Cc1cccc(NCc2ccc(Oc3cccc(F)c3)nc2)n1.
What is the InChIKey of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine?
The InChIKey is PPXSVWJZIGAZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13-4-2-7-17(22-13)20-11-14-8-9-18(21-12-14)23-16-6-3-5-15(19)10-16/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine?
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine has a molecular weight of 309.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 133482546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).