1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine

C13H18FN — CID 105460931

IUPAC1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
SMILESCNC(C)C1CCc2cccc(F)c2C1
InChIInChI=1S/C13H18FN/c1-9(15-2)11-7-6-10-4-3-5-13(14)12(10)8-11/h3-5,9,11,15H,6-8H2,1-2H3
InChIKeyVFCQORCXRKPDPS-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.54
Rot. Bonds2

About 1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine

1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine (PubChem CID 105460931) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
PubChem CID105460931
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
SMILESCNC(C)C1CCc2cccc(F)c2C1
InChIInChI=1S/C13H18FN/c1-9(15-2)11-7-6-10-4-3-5-13(14)12(10)8-11/h3-5,9,11,15H,6-8H2,1-2H3
InChIKeyVFCQORCXRKPDPS-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine (CID 105460931) is 1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine is CNC(C)C1CCc2cccc(F)c2C1.
What is the InChIKey of 1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine?
The InChIKey is VFCQORCXRKPDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(15-2)11-7-6-10-4-3-5-13(14)12(10)8-11/h3-5,9,11,15H,6-8H2,1-2H3.
What are the key properties of 1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine?
1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine has a molecular weight of 207.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine is sourced from PubChem (CID 105460931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).