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

C14H20FN — CID 84623961

IUPAC2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
SMILESCNCCC1CC(C)Cc2c(F)cccc21
InChIInChI=1S/C14H20FN/c1-10-8-11(6-7-16-2)12-4-3-5-14(15)13(12)9-10/h3-5,10-11,16H,6-9H2,1-2H3
InChIKeyKAVKAVYQFIBSCS-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.10
Rot. Bonds3

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

2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine (PubChem CID 84623961) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
PubChem CID84623961
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
SMILESCNCCC1CC(C)Cc2c(F)cccc21
InChIInChI=1S/C14H20FN/c1-10-8-11(6-7-16-2)12-4-3-5-14(15)13(12)9-10/h3-5,10-11,16H,6-9H2,1-2H3
InChIKeyKAVKAVYQFIBSCS-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 84620948
7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 20642739
(5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84635120
3-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117198830
6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 114834409
(5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620615
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 112545998
4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 114933231
N-methyl-1-(2-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
CID 105431723
(1aR,6aS)-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 51601335
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
CID 55211905

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
The IUPAC name of 2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine (CID 84623961) is 2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine is CNCCC1CC(C)Cc2c(F)cccc21.
What is the InChIKey of 2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
The InChIKey is KAVKAVYQFIBSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-8-11(6-7-16-2)12-4-3-5-14(15)13(12)9-10/h3-5,10-11,16H,6-9H2,1-2H3.
What are the key properties of 2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine is sourced from PubChem (CID 84623961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).