N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine

C16H19FN2O — CID 54583833

IUPACN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine
SMILESCOc1cc(F)ccc1-c1cncc(CNC(C)C)c1
InChIInChI=1S/C16H19FN2O/c1-11(2)19-9-12-6-13(10-18-8-12)15-5-4-14(17)7-16(15)20-3/h4-8,10-11,19H,9H2,1-3H3
InChIKeyGVQRMCLPLPTJNW-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.39
Rot. Bonds5

About N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine

N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 54583833) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID54583833
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine
SMILESCOc1cc(F)ccc1-c1cncc(CNC(C)C)c1
InChIInChI=1S/C16H19FN2O/c1-11(2)19-9-12-6-13(10-18-8-12)15-5-4-14(17)7-16(15)20-3/h4-8,10-11,19H,9H2,1-3H3
InChIKeyGVQRMCLPLPTJNW-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sarizotan
CID 6918388
Ro 24-0238
CID 6439060
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614
3-(4-Fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480242
3-((S)-1-Azetidin-2-ylmethoxy)-5-phenyl-pyridine
CID 22872635
7-(5-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485800
US10155760, Example 43
CID 118420203
US10155760, Example 44
CID 118429748
(4-Methoxy-phenyl)-pyridin-3-ylmethyl-amine
CID 742765
3-(Piperidin-4-yl)-2-(o-tolyloxy)pyridine
CID 46230706
3-[2-Methyl-3-(piperidin-4-yl)phenoxymethyl]pyridine
CID 25263319

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine (CID 54583833) is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine is COc1cc(F)ccc1-c1cncc(CNC(C)C)c1.
What is the InChIKey of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is GVQRMCLPLPTJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11(2)19-9-12-6-13(10-18-8-12)15-5-4-14(17)7-16(15)20-3/h4-8,10-11,19H,9H2,1-3H3.
What are the key properties of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 274.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 54583833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).