N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine

C14H20FN3 — CID 106316599

IUPACN-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(F)cnc1N1CCC=C(C)C1
InChIInChI=1S/C14H20FN3/c1-3-16-8-12-7-13(15)9-17-14(12)18-6-4-5-11(2)10-18/h5,7,9,16H,3-4,6,8,10H2,1-2H3
InChIKeyQAOVMELCRPVWOL-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.49
Rot. Bonds4

About N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 106316599) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID106316599
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC NameN-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(F)cnc1N1CCC=C(C)C1
InChIInChI=1S/C14H20FN3/c1-3-16-8-12-7-13(15)9-17-14(12)18-6-4-5-11(2)10-18/h5,7,9,16H,3-4,6,8,10H2,1-2H3
InChIKeyQAOVMELCRPVWOL-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]ethanamine
CID 114035285
N-[(5-fluoro-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 114035146
1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 114035444
N-[[5-bromo-2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279135
N-[[4-methyl-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 106316581
N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine
CID 114035538
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81249710
N-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 106316542
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine
CID 106317129
[3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
CID 106316384
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 112676467

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 106316599) is N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cc(F)cnc1N1CCC=C(C)C1.
What is the InChIKey of N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is QAOVMELCRPVWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-3-16-8-12-7-13(15)9-17-14(12)18-6-4-5-11(2)10-18/h5,7,9,16H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 249.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106316599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).