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

C12H14BrF2N — CID 115863908

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
SMILESNC(CC1CCC1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H14BrF2N/c13-8-5-9(14)12(10(15)6-8)11(16)4-7-2-1-3-7/h5-7,11H,1-4,16H2
InChIKeyZBYKVLWVUNEKQA-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.92
Rot. Bonds3

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

1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine (PubChem CID 115863908) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
PubChem CID115863908
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
SMILESNC(CC1CCC1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H14BrF2N/c13-8-5-9(14)12(10(15)6-8)11(16)4-7-2-1-3-7/h5-7,11H,1-4,16H2
InChIKeyZBYKVLWVUNEKQA-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 43104806
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584
(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
CID 171268665
2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol
CID 131559036
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
(1S)-1-(4-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313079
(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171226288
(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717
2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
CID 65458373
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine (CID 115863908) is 1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine is NC(CC1CCC1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine?
The InChIKey is ZBYKVLWVUNEKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c13-8-5-9(14)12(10(15)6-8)11(16)4-7-2-1-3-7/h5-7,11H,1-4,16H2.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine?
1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine has a molecular weight of 290.15 g/mol, XLogP of 3.92, 3 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)-2-cyclobutylethanamine is sourced from PubChem (CID 115863908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).