1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine

C10H11BrF3N — CID 71166809

IUPAC1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(C(F)(F)F)c(C)cc1Br
InChIInChI=1S/C10H11BrF3N/c1-6-3-9(11)7(5-15-2)4-8(6)10(12,13)14/h3-4,15H,5H2,1-2H3
InChIKeyWIWPOTQFYHPJBT-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.50
Rot. Bonds2

About 1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine

1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 71166809) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID71166809
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(C(F)(F)F)c(C)cc1Br
InChIInChI=1S/C10H11BrF3N/c1-6-3-9(11)7(5-15-2)4-8(6)10(12,13)14/h3-4,15H,5H2,1-2H3
InChIKeyWIWPOTQFYHPJBT-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 18414273
[(4-Bromo-3-methylphenyl)methyl](methyl)amine
CID 18960622
((4-Bromo-2-methylphenyl)methyl)(methyl)amine
CID 43629908
((3-Bromo-5-methylphenyl)methyl)(methyl)amine hydrochloride
CID 69935409
8-Bromo-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 81795377
6-Bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 86767503
7-Bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 131116502
(4-Bromo-2,6-dimethylphenyl)methanamine hydrochloride
CID 137935588
(4-Bromo-2-(trifluoromethyl)phenyl)methanamine
CID 47002193
1-(5-Bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-amine
CID 77128631
(3-Bromo-2,4-dimethylphenyl)methanamine hydrochloride
CID 132342229
[(4-Bromo-2,6-dimethylphenyl)methyl](methyl)amine hydrochloride
CID 137928429

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 71166809) is 1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine is CNCc1cc(C(F)(F)F)c(C)cc1Br.
What is the InChIKey of 1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is WIWPOTQFYHPJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-6-3-9(11)7(5-15-2)4-8(6)10(12,13)14/h3-4,15H,5H2,1-2H3.
What are the key properties of 1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 282.10 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-methyl-5-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 71166809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).