3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine

C10H11BrF3N — CID 57419862

IUPAC3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCCCc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H11BrF3N/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15/h3-4,6H,1-2,5,15H2
InChIKeyXDCSOLIXJGFRMN-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.36
Rot. Bonds3

About 3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine

3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 57419862) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID57419862
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCCCc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H11BrF3N/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15/h3-4,6H,1-2,5,15H2
InChIKeyXDCSOLIXJGFRMN-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine (CID 57419862) is 3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine is NCCCc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is XDCSOLIXJGFRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15/h3-4,6H,1-2,5,15H2.
What are the key properties of 3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine?
3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 282.10 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-5-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 57419862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).