[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride

C8H8BrClF3N — CID 119018838

IUPAC[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C8H7BrF3N.ClH/c9-7-3-1-2-6(5(7)4-13)8(10,11)12;/h1-3H,4,13H2;1H
InChIKeyIGWXTBHFZASKGI-UHFFFAOYSA-N
MW290.51 g/mol
LogP3.35
Rot. Bonds1

About [2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride

[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 119018838) has the molecular formula C8H8BrClF3N and a molecular weight of 290.51 g/mol. Its IUPAC name is [2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID119018838
Molecular FormulaC8H8BrClF3N
Molecular Weight290.51 g/mol
Exact Mass288.95
IUPAC Name[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C8H7BrF3N.ClH/c9-7-3-1-2-6(5(7)4-13)8(10,11)12;/h1-3H,4,13H2;1H
InChIKeyIGWXTBHFZASKGI-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 70700248
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
CID 117452873
1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one
CID 117450989
1-bromo-2-(isocyanatomethyl)-3-(trifluoromethyl)benzene
CID 117449216
2-[2-bromo-6-(trifluoromethyl)phenyl]propan-1-amine
CID 117452946
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol
CID 117456631
3-amino-2-[2-bromo-6-(trifluoromethyl)phenyl]propanoic acid
CID 117496566
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117492962
[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431
[2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 114879817
[6-bromo-3-iodo-2-(trifluoromethyl)phenyl]methanamine
CID 171019356

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 119018838) is [2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.NCc1c(Br)cccc1C(F)(F)F.
What is the InChIKey of [2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is IGWXTBHFZASKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N.ClH/c9-7-3-1-2-6(5(7)4-13)8(10,11)12;/h1-3H,4,13H2;1H.
What are the key properties of [2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride?
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 290.51 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 119018838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).