[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride

C8H8BrClF3N — CID 70700248

IUPAC[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(C(F)(F)F)c1Br
InChIInChI=1S/C8H7BrF3N.ClH/c9-7-5(4-13)2-1-3-6(7)8(10,11)12;/h1-3H,4,13H2;1H
InChIKeyMVJLSFCSZHEUOB-UHFFFAOYSA-N
MW290.51 g/mol
LogP3.35
Rot. Bonds1

About [2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride

[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 70700248) has the molecular formula C8H8BrClF3N and a molecular weight of 290.51 g/mol. Its IUPAC name is [2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID70700248
Molecular FormulaC8H8BrClF3N
Molecular Weight290.51 g/mol
Exact Mass288.95
IUPAC Name[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(C(F)(F)F)c1Br
InChIInChI=1S/C8H7BrF3N.ClH/c9-7-5(4-13)2-1-3-6(7)8(10,11)12;/h1-3H,4,13H2;1H
InChIKeyMVJLSFCSZHEUOB-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;formic acid
CID 174979218
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 119018838
[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631455
[2-phenyl-3-(trifluoromethyl)phenyl]methanamine
CID 46315138
[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631566
2-(aminomethyl)-6-(trifluoromethyl)benzonitrile
CID 86617537
[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]methanamine
CID 46313291
2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine
CID 70118459
2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 19704221
[2-bromo-3-nitro-4-(trifluoromethyl)phenyl]methanamine
CID 171011627
1-[3-(aminomethyl)-2-fluorophenyl]-1,1-difluoro-2-methylpropan-2-ol
CID 167311067
2-bromo-1-ethylsulfanyl-3-(trifluoromethyl)benzene
CID 91876340

Frequently Asked Questions

What is the IUPAC name of [2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 70700248) is [2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.NCc1cccc(C(F)(F)F)c1Br.
What is the InChIKey of [2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is MVJLSFCSZHEUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N.ClH/c9-7-5(4-13)2-1-3-6(7)8(10,11)12;/h1-3H,4,13H2;1H.
What are the key properties of [2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
[2-bromo-3-(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-3-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 70700248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).