2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C12H15F2N — CID 84781691

IUPAC2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNCCC1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C12H15F2N/c13-10-6-9-3-1-2-8(4-5-15)12(9)11(14)7-10/h6-8H,1-5,15H2
InChIKeyIYSKKJWCNLAEQO-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.73
Rot. Bonds2

About 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 84781691) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID84781691
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNCCC1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C12H15F2N/c13-10-6-9-3-1-2-8(4-5-15)12(9)11(14)7-10/h6-8H,1-5,15H2
InChIKeyIYSKKJWCNLAEQO-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55253125
(5,7-difluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 84768946
2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84790872
(5R,6R)-6-amino-2,4-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600981
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383
2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82076847
(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545132
(1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130706080
2-(2-ethyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine
CID 83907612
2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 15816636
2-[(1R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 67627169
2-(4,5,6,7-tetrahydro-1,2-benzoxazol-7-yl)ethanamine
CID 83873526

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 84781691) is 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is NCCC1CCCc2cc(F)cc(F)c21.
What is the InChIKey of 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is IYSKKJWCNLAEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-10-6-9-3-1-2-8(4-5-15)12(9)11(14)7-10/h6-8H,1-5,15H2.
What are the key properties of 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 211.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 84781691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).