1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine

C11H13BrF3N — CID 117112045

IUPAC1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C11H13BrF3N/c1-10(2,16)6-7-3-4-8(5-9(7)12)11(13,14)15/h3-5H,6,16H2,1-2H3
InChIKeyZOFHJHBABWDLLS-UHFFFAOYSA-N
MW296.13 g/mol
LogP3.75
Rot. Bonds2

About 1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine

1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine (PubChem CID 117112045) has the molecular formula C11H13BrF3N and a molecular weight of 296.13 g/mol. Its IUPAC name is 1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine
PubChem CID117112045
Molecular FormulaC11H13BrF3N
Molecular Weight296.13 g/mol
Exact Mass295.02
IUPAC Name1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C11H13BrF3N/c1-10(2,16)6-7-3-4-8(5-9(7)12)11(13,14)15/h3-5H,6,16H2,1-2H3
InChIKeyZOFHJHBABWDLLS-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine (CID 117112045) is 1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine is CC(C)(N)Cc1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine?
The InChIKey is ZOFHJHBABWDLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N/c1-10(2,16)6-7-3-4-8(5-9(7)12)11(13,14)15/h3-5H,6,16H2,1-2H3.
What are the key properties of 1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine?
1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine has a molecular weight of 296.13 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117112045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).