2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine

C12H16BrF2N — CID 165344141

IUPAC2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(C)(N)c1cc(F)c(F)cc1Br
InChIInChI=1S/C12H16BrF2N/c1-11(2,3)12(4,16)7-5-9(14)10(15)6-8(7)13/h5-6H,16H2,1-4H3
InChIKeyZGODUJKPCVKDEC-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.95
Rot. Bonds1

About 2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine

2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine (PubChem CID 165344141) has the molecular formula C12H16BrF2N and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine
PubChem CID165344141
Molecular FormulaC12H16BrF2N
Molecular Weight292.17 g/mol
Exact Mass291.04
IUPAC Name2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(C)(N)c1cc(F)c(F)cc1Br
InChIInChI=1S/C12H16BrF2N/c1-11(2,3)12(4,16)7-5-9(14)10(15)6-8(7)13/h5-6H,16H2,1-4H3
InChIKeyZGODUJKPCVKDEC-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
CID 84803507
1-bromo-5-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 169256259
2-(3-bromo-2,4,5-trifluorophenyl)propan-2-amine
CID 117111939
(3R)-3-amino-3-(5-bromo-2,4-difluorophenyl)-2,2-difluorobutan-1-ol
CID 71008979
1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene
CID 22566588
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561
1-bromo-5-tert-butyl-2,4-difluorobenzene
CID 153434868
(2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine
CID 130941665
1,1,1-trifluoro-3-methyl-3-(2,4,5-trifluorophenyl)butan-2-amine
CID 132588639
2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride
CID 155821579
2-amino-3-(2-bromo-4,5-difluorophenoxy)-2-methylpropanenitrile
CID 68621920
4-bromo-2-fluoro-5-methylaniline;ethane
CID 177009828

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine (CID 165344141) is 2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine is CC(C)(C)C(C)(N)c1cc(F)c(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine?
The InChIKey is ZGODUJKPCVKDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2N/c1-11(2,3)12(4,16)7-5-9(14)10(15)6-8(7)13/h5-6H,16H2,1-4H3.
What are the key properties of 2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine?
2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine has a molecular weight of 292.17 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-difluorophenyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 165344141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).