1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine

C11H15BrFN — CID 117404058

IUPAC1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
SMILESCc1c(Br)cc(F)cc1CC(C)(C)N
InChIInChI=1S/C11H15BrFN/c1-7-8(6-11(2,3)14)4-9(13)5-10(7)12/h4-5H,6,14H2,1-3H3
InChIKeyIIMOEMRKTKPSBM-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.18
Rot. Bonds2

About 1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine

1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine (PubChem CID 117404058) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
PubChem CID117404058
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
SMILESCc1c(Br)cc(F)cc1CC(C)(C)N
InChIInChI=1S/C11H15BrFN/c1-7-8(6-11(2,3)14)4-9(13)5-10(7)12/h4-5H,6,14H2,1-3H3
InChIKeyIIMOEMRKTKPSBM-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 117313615
1-(3-bromo-4,5-dimethylphenyl)-2-methylpropan-2-amine
CID 84805283
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
2-(3-bromo-5-fluoro-2-methylphenyl)-1-(4-tert-butylphenyl)ethanone
CID 158971533
2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine
CID 82281489
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
1-(2-ethyl-5-fluorophenyl)-2-methylpropan-2-amine
CID 84773708

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine (CID 117404058) is 1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine is Cc1c(Br)cc(F)cc1CC(C)(C)N.
What is the InChIKey of 1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is IIMOEMRKTKPSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-7-8(6-11(2,3)14)4-9(13)5-10(7)12/h4-5H,6,14H2,1-3H3.
What are the key properties of 1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine?
1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine has a molecular weight of 260.15 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117404058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).