[3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine

C8H6BrClF3N — CID 171013867

IUPAC[3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1c(Cl)ccc(Br)c1C(F)(F)F
InChIInChI=1S/C8H6BrClF3N/c9-5-1-2-6(10)4(3-14)7(5)8(11,12)13/h1-2H,3,14H2
InChIKeyKISIETUZDVBVTD-UHFFFAOYSA-N
MW288.49 g/mol
LogP3.58
Rot. Bonds1

About [3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine

[3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 171013867) has the molecular formula C8H6BrClF3N and a molecular weight of 288.49 g/mol. Its IUPAC name is [3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine
PubChem CID171013867
Molecular FormulaC8H6BrClF3N
Molecular Weight288.49 g/mol
Exact Mass286.93
IUPAC Name[3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1c(Cl)ccc(Br)c1C(F)(F)F
InChIInChI=1S/C8H6BrClF3N/c9-5-1-2-6(10)4(3-14)7(5)8(11,12)13/h1-2H,3,14H2
InChIKeyKISIETUZDVBVTD-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
(2-Bromo-5-chlorophenyl)methanamine
CID 65811418
6-Bromo-3-chloro-2-fluorobenzylamine
CID 83409842
4-bromo-7-chloro-2,3-dihydro-1H-isoindole
CID 130064557
1-Bromo-4-chloro-2-methyl-3-(trifluoromethyl)benzene
CID 69547932
[2-bromo-4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine
CID 134217814
[2-bromo-4-[(E)-3-(3-chloro-4-methylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine
CID 134225627
1-Bromo-4-chloro-3-methyl-2-(trifluoromethyl)benzene
CID 140232464
5-Bromo-8-chloro-4-methyl-3,4-dihydronaphthalen-1-amine;ethane;1,1,1-trifluoropropane
CID 153395411
N-[(5-bromo-2-chlorophenyl)methyl]-2,2,2-trifluoroethanamine
CID 60997309
[4-Bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanamine
CID 62689663
[4-Bromo-2-(trifluoromethyl)phenyl]-(2-chlorophenyl)methanamine
CID 62690167

Frequently Asked Questions

What is the IUPAC name of [3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine (CID 171013867) is [3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine is NCc1c(Cl)ccc(Br)c1C(F)(F)F.
What is the InChIKey of [3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KISIETUZDVBVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3N/c9-5-1-2-6(10)4(3-14)7(5)8(11,12)13/h1-2H,3,14H2.
What are the key properties of [3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine?
[3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 288.49 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-6-chloro-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171013867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).