N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine

C16H19FN2O — CID 81250922

IUPACN-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Oc2ccc(F)cc2)c(CNC(C)C)cn1
InChIInChI=1S/C16H19FN2O/c1-11(2)18-9-13-10-19-12(3)8-16(13)20-15-6-4-14(17)5-7-15/h4-8,10-11,18H,9H2,1-3H3
InChIKeyIJFCGGYPYTURDQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.82
Rot. Bonds5

About N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81250922) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID81250922
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Oc2ccc(F)cc2)c(CNC(C)C)cn1
InChIInChI=1S/C16H19FN2O/c1-11(2)18-9-13-10-19-12(3)8-16(13)20-15-6-4-14(17)5-7-15/h4-8,10-11,18H,9H2,1-3H3
InChIKeyIJFCGGYPYTURDQ-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81253500
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81255097
N-[[4-[(5-bromo-3-pyridinyl)oxy]-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81251108
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
N-[[5-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855675
N-[[6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250262
N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105391187
[6-methyl-4-(4-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 81238941
1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250238
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 83234578

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine (CID 81250922) is N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(Oc2ccc(F)cc2)c(CNC(C)C)cn1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is IJFCGGYPYTURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11(2)18-9-13-10-19-12(3)8-16(13)20-15-6-4-14(17)5-7-15/h4-8,10-11,18H,9H2,1-3H3.
What are the key properties of N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 274.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81250922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).