2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine

C13H17BrFNO — CID 105020731

IUPAC2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCC1CC(C(N)Cc2cccc(F)c2Br)CO1
InChIInChI=1S/C13H17BrFNO/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(15)13(9)14/h2-4,8,10,12H,5-7,16H2,1H3
InChIKeyGLXLXHHJJNYSDK-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine

2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 105020731) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID105020731
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCC1CC(C(N)Cc2cccc(F)c2Br)CO1
InChIInChI=1S/C13H17BrFNO/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(15)13(9)14/h2-4,8,10,12H,5-7,16H2,1H3
InChIKeyGLXLXHHJJNYSDK-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825914
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115819109
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115784886
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-bromo-3-fluorophenyl)ethanamine
CID 105020628
2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105172197
1-(2-bromo-3-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 105020612
2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine
CID 114216183
1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine
CID 115794492
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825906
[2-(2-bromo-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
[2-(2-fluoro-3-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]hydrazine
CID 105334314

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine (CID 105020731) is 2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine is CC1CC(C(N)Cc2cccc(F)c2Br)CO1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is GLXLXHHJJNYSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-8-5-10(7-17-8)12(16)6-9-3-2-4-11(15)13(9)14/h2-4,8,10,12H,5-7,16H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 302.19 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105020731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).