1-(4-bromo-2,6-difluorophenyl)ethanamine

C8H8BrF2N — CID 67403497

IUPAC1-(4-bromo-2,6-difluorophenyl)ethanamine
SMILESCC(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C8H8BrF2N/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-4H,12H2,1H3
InChIKeyRKEWVQWENMZJIB-UHFFFAOYSA-N
MW236.06 g/mol
LogP2.75
Rot. Bonds1

About 1-(4-bromo-2,6-difluorophenyl)ethanamine

1-(4-bromo-2,6-difluorophenyl)ethanamine (PubChem CID 67403497) has the molecular formula C8H8BrF2N and a molecular weight of 236.06 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)ethanamine
PubChem CID67403497
Molecular FormulaC8H8BrF2N
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name1-(4-bromo-2,6-difluorophenyl)ethanamine
SMILESCC(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C8H8BrF2N/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-4H,12H2,1H3
InChIKeyRKEWVQWENMZJIB-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine
CID 83402968
(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751
(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 131315667
(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
CID 171268660
2-[(1S)-1-aminoethyl]-4-bromo-6-fluorophenol
CID 130713722
[1-(4-bromo-2,6-difluorophenyl)-2-methylpropyl]hydrazine
CID 105281800
2-[(1R)-1-aminoethyl]-6-bromo-3,5-difluorophenol
CID 131053212
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
(1S)-1-(4-bromo-2,6-difluorophenyl)prop-2-en-1-amine
CID 130898055
4-[(1R)-1-aminoethyl]-3,5-difluorobenzonitrile
CID 55292784
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)ethanamine (CID 67403497) is 1-(4-bromo-2,6-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)ethanamine is CC(N)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)ethanamine?
The InChIKey is RKEWVQWENMZJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-4H,12H2,1H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)ethanamine?
1-(4-bromo-2,6-difluorophenyl)ethanamine has a molecular weight of 236.06 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 67403497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).