2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine

C10H11BrF3N — CID 117111932

IUPAC2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-9(2,15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,15H2,1-2H3
InChIKeyCJBZICPURQZZJN-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.66
Rot. Bonds1

About 2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine

2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 117111932) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID117111932
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-9(2,15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,15H2,1-2H3
InChIKeyCJBZICPURQZZJN-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine (CID 117111932) is 2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine is CC(C)(N)c1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is CJBZICPURQZZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-9(2,15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,15H2,1-2H3.
What are the key properties of 2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine?
2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 282.10 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117111932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).