1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C17H19FN2 — CID 104737775

IUPAC1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCC(N)(c1ccc2c(c1)CCCC2)c1ccncc1F
InChIInChI=1S/C17H19FN2/c1-17(19,15-8-9-20-11-16(15)18)14-7-6-12-4-2-3-5-13(12)10-14/h6-11H,2-5,19H2,1H3
InChIKeyBRFKHNGXRXBOKU-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.32
Rot. Bonds2

About 1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 104737775) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID104737775
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESCC(N)(c1ccc2c(c1)CCCC2)c1ccncc1F
InChIInChI=1S/C17H19FN2/c1-17(19,15-8-9-20-11-16(15)18)14-7-6-12-4-2-3-5-13(12)10-14/h6-11H,2-5,19H2,1H3
InChIKeyBRFKHNGXRXBOKU-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 104737775) is 1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is CC(N)(c1ccc2c(c1)CCCC2)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is BRFKHNGXRXBOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-17(19,15-8-9-20-11-16(15)18)14-7-6-12-4-2-3-5-13(12)10-14/h6-11H,2-5,19H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 270.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 104737775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).