2-(2-bromo-6-fluorophenyl)ethanamine

C8H9BrFN — CID 83384131

IUPAC2-(2-bromo-6-fluorophenyl)ethanamine
SMILESNCCc1c(F)cccc1Br
InChIInChI=1S/C8H9BrFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
InChIKeyAYBXTNALAPGVHP-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.09
Rot. Bonds2

About 2-(2-bromo-6-fluorophenyl)ethanamine

2-(2-bromo-6-fluorophenyl)ethanamine (PubChem CID 83384131) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)ethanamine
PubChem CID83384131
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name2-(2-bromo-6-fluorophenyl)ethanamine
SMILESNCCc1c(F)cccc1Br
InChIInChI=1S/C8H9BrFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
InChIKeyAYBXTNALAPGVHP-UHFFFAOYSA-N
XLogP2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645
2-[2-(3-bromophenoxy)-6-fluorophenyl]ethanamine
CID 114066145
1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene
CID 67230014
1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
CID 70699630
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 106269272
3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
CID 117404148
2-[3-fluoro-2-[(2-fluorophenyl)methyl]phenyl]ethanamine
CID 20642648
2-bromo-6-fluoroaniline;dihydrofluoride
CID 174694012
2-(2-fluoro-6-piperidin-1-ylphenyl)ethanamine
CID 82286983
2-[2-(azepan-1-yl)-6-fluorophenyl]ethanamine
CID 82291720
4-(2-bromo-6-methylsulfanylphenyl)butan-1-amine
CID 117437841

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)ethanamine (CID 83384131) is 2-(2-bromo-6-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)ethanamine is NCCc1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)ethanamine?
The InChIKey is AYBXTNALAPGVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2.
What are the key properties of 2-(2-bromo-6-fluorophenyl)ethanamine?
2-(2-bromo-6-fluorophenyl)ethanamine has a molecular weight of 218.07 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)ethanamine is sourced from PubChem (CID 83384131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).