2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine

C13H18FN — CID 84620948

IUPAC2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
SMILESCNCCC1CCCc2c(F)cccc21
InChIInChI=1S/C13H18FN/c1-15-9-8-10-4-2-6-12-11(10)5-3-7-13(12)14/h3,5,7,10,15H,2,4,6,8-9H2,1H3
InChIKeyYPQSDMGOJMAWIH-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.86
Rot. Bonds3

About 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine

2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine (PubChem CID 84620948) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
PubChem CID84620948
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
SMILESCNCCC1CCCc2c(F)cccc21
InChIInChI=1S/C13H18FN/c1-15-9-8-10-4-2-6-12-11(10)5-3-7-13(12)14/h3,5,7,10,15H,2,4,6,8-9H2,1H3
InChIKeyYPQSDMGOJMAWIH-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
The IUPAC name of 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine (CID 84620948) is 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine is CNCCC1CCCc2c(F)cccc21.
What is the InChIKey of 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
The InChIKey is YPQSDMGOJMAWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-15-9-8-10-4-2-6-12-11(10)5-3-7-13(12)14/h3,5,7,10,15H,2,4,6,8-9H2,1H3.
What are the key properties of 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine has a molecular weight of 207.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine is sourced from PubChem (CID 84620948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).