N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine

C10H11BrF3N — CID 66472165

IUPACN-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1cc(CNCC(F)(F)F)ccc1Br
InChIInChI=1S/C10H11BrF3N/c1-7-4-8(2-3-9(7)11)5-15-6-10(12,13)14/h2-4,15H,5-6H2,1H3
InChIKeyRVLODTYEZYCMGT-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.41
Rot. Bonds3

About N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine

N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 66472165) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
PubChem CID66472165
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1cc(CNCC(F)(F)F)ccc1Br
InChIInChI=1S/C10H11BrF3N/c1-7-4-8(2-3-9(7)11)5-15-6-10(12,13)14/h2-4,15H,5-6H2,1H3
InChIKeyRVLODTYEZYCMGT-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

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Related Compounds

2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
N-[(4-bromo-3-methylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66473825
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897720
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 81109555
3-[(3-bromo-4-methylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857841
1-(4-bromo-3-methylphenyl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 66472417
4-bromo-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 28574797
(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol
CID 95932159
N-[(3-bromo-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 105401425
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 66472041
ethyl 2-[(4-bromo-3-methylphenyl)methylamino]acetate
CID 66474260

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine (CID 66472165) is N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine is Cc1cc(CNCC(F)(F)F)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is RVLODTYEZYCMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-7-4-8(2-3-9(7)11)5-15-6-10(12,13)14/h2-4,15H,5-6H2,1H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine?
N-[(4-bromo-3-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-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66472165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).