N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine

C10H11BrF3N — CID 81109555

IUPACN-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1ccc(Br)c(CNCC(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-7-2-3-9(11)8(4-7)5-15-6-10(12,13)14/h2-4,15H,5-6H2,1H3
InChIKeyPQLDMDLMJBLLQI-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.41
Rot. Bonds3

About N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine

N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 81109555) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine
PubChem CID81109555
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC NameN-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1ccc(Br)c(CNCC(F)(F)F)c1
InChIInChI=1S/C10H11BrF3N/c1-7-2-3-9(11)8(4-7)5-15-6-10(12,13)14/h2-4,15H,5-6H2,1H3
InChIKeyPQLDMDLMJBLLQI-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 66472165
2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82757110
N-[(5-bromo-2-tert-butyl-4-pyridinyl)methyl]-2,2,2-trifluoroethanamine
CID 155579981
N-[(2-bromo-5-methylphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405437
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324433
N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
CID 81110490
N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81110948
1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 84589778
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460661
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914907
3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899283

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine (CID 81109555) is N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine is Cc1ccc(Br)c(CNCC(F)(F)F)c1.
What is the InChIKey of N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is PQLDMDLMJBLLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-7-2-3-9(11)8(4-7)5-15-6-10(12,13)14/h2-4,15H,5-6H2,1H3.
What are the key properties of N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 282.10 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 81109555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).