2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine

C14H25FN2 — CID 167006267

IUPAC2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine
SMILESCCCC(F)C(CNC)C(C)C1=CCCC=N1
InChIInChI=1S/C14H25FN2/c1-4-7-13(15)12(10-16-3)11(2)14-8-5-6-9-17-14/h8-9,11-13,16H,4-7,10H2,1-3H3
InChIKeyQODDBELINUVRSJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.34
Rot. Bonds7

About 2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine

2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine (PubChem CID 167006267) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine
PubChem CID167006267
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine
SMILESCCCC(F)C(CNC)C(C)C1=CCCC=N1
InChIInChI=1S/C14H25FN2/c1-4-7-13(15)12(10-16-3)11(2)14-8-5-6-9-17-14/h8-9,11-13,16H,4-7,10H2,1-3H3
InChIKeyQODDBELINUVRSJ-UHFFFAOYSA-N
XLogP3.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine?
The IUPAC name of 2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine (CID 167006267) is 2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine.
What is the SMILES notation for 2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine?
The canonical SMILES for 2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine is CCCC(F)C(CNC)C(C)C1=CCCC=N1.
What is the InChIKey of 2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine?
The InChIKey is QODDBELINUVRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2/c1-4-7-13(15)12(10-16-3)11(2)14-8-5-6-9-17-14/h8-9,11-13,16H,4-7,10H2,1-3H3.
What are the key properties of 2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine?
2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dihydropyridin-6-yl)ethyl]-3-fluoro-N-methylhexan-1-amine is sourced from PubChem (CID 167006267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).