6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline

C8H8BrF3N2 — CID 119012273

IUPAC6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline
SMILESNCc1ccc(Br)c(C(F)(F)F)c1N
InChIInChI=1S/C8H8BrF3N2/c9-5-2-1-4(3-13)7(14)6(5)8(10,11)12/h1-2H,3,13-14H2
InChIKeyDWJDWYIKAHYLHE-UHFFFAOYSA-N
MW269.06 g/mol
LogP2.51
Rot. Bonds1

About 6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline

6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline (PubChem CID 119012273) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline
PubChem CID119012273
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline
SMILESNCc1ccc(Br)c(C(F)(F)F)c1N
InChIInChI=1S/C8H8BrF3N2/c9-5-2-1-4(3-13)7(14)6(5)8(10,11)12/h1-2H,3,13-14H2
InChIKeyDWJDWYIKAHYLHE-UHFFFAOYSA-N
XLogP2.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline?
The IUPAC name of 6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline (CID 119012273) is 6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline.
What is the SMILES notation for 6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline?
The canonical SMILES for 6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline is NCc1ccc(Br)c(C(F)(F)F)c1N.
What is the InChIKey of 6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline?
The InChIKey is DWJDWYIKAHYLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c9-5-2-1-4(3-13)7(14)6(5)8(10,11)12/h1-2H,3,13-14H2.
What are the key properties of 6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline?
6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline has a molecular weight of 269.06 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-bromo-2-(trifluoromethyl)aniline is sourced from PubChem (CID 119012273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).