2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

C14H11BrF3N — CID 29031697

IUPAC2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1ccc(CNc2ccccc2Br)cc1
InChIInChI=1S/C14H11BrF3N/c15-12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)14(16,17)18/h1-8,19H,9H2
InChIKeyDWNVNTKUWONKRQ-UHFFFAOYSA-N
MW330.15 g/mol
LogP5.08
Rot. Bonds3

About 2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 29031697) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID29031697
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1ccc(CNc2ccccc2Br)cc1
InChIInChI=1S/C14H11BrF3N/c15-12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)14(16,17)18/h1-8,19H,9H2
InChIKeyDWNVNTKUWONKRQ-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.15
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43736693
2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 14098781
2-bromo-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342183
2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 62815004
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971
2-bromo-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511612
3-bromo-N-ethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 163393477
3-bromo-N-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 163393355
2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788759
1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 18412167
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
7-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzothiazol-3-amine
CID 171594890

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 29031697) is 2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is FC(F)(F)c1ccc(CNc2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is DWNVNTKUWONKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)14(16,17)18/h1-8,19H,9H2.
What are the key properties of 2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 330.15 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 29031697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).