N-benzyl-4-bromo-2-(trifluoromethyl)aniline

C14H11BrF3N — CID 60792374

IUPACN-benzyl-4-bromo-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)ccc1NCc1ccccc1
InChIInChI=1S/C14H11BrF3N/c15-11-6-7-13(12(8-11)14(16,17)18)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyXLVVIWAPZUVMKN-UHFFFAOYSA-N
MW330.15 g/mol
LogP5.08
Rot. Bonds3

About N-benzyl-4-bromo-2-(trifluoromethyl)aniline

N-benzyl-4-bromo-2-(trifluoromethyl)aniline (PubChem CID 60792374) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is N-benzyl-4-bromo-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-benzyl-4-bromo-2-(trifluoromethyl)aniline
PubChem CID60792374
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC NameN-benzyl-4-bromo-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)ccc1NCc1ccccc1
InChIInChI=1S/C14H11BrF3N/c15-11-6-7-13(12(8-11)14(16,17)18)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyXLVVIWAPZUVMKN-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

4-bromo-N-[(4-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 60790630
4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 60790628
4-bromo-N-[(4-iodophenyl)methyl]-2-(trifluoromethyl)aniline
CID 65477978
4-bromo-N-[(4-ethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 60791438
4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline
CID 152566871
4-bromo-N-(3-phenylpropyl)-2-(trifluoromethyl)aniline
CID 60792367
3-[[4-bromo-2-(trifluoromethyl)anilino]methyl]benzonitrile
CID 60792859
5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286070
N-[(2-aminophenyl)methyl]-4-bromo-2-(trifluoromethyl)aniline
CID 65485190
N-benzyl-4-bromo-2-(trifluoromethoxy)aniline
CID 103192753
4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)aniline
CID 59557088
4-bromo-N-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)aniline
CID 115513559

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-2-(trifluoromethyl)aniline?
The IUPAC name of N-benzyl-4-bromo-2-(trifluoromethyl)aniline (CID 60792374) is N-benzyl-4-bromo-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-benzyl-4-bromo-2-(trifluoromethyl)aniline?
The canonical SMILES for N-benzyl-4-bromo-2-(trifluoromethyl)aniline is FC(F)(F)c1cc(Br)ccc1NCc1ccccc1.
What is the InChIKey of N-benzyl-4-bromo-2-(trifluoromethyl)aniline?
The InChIKey is XLVVIWAPZUVMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-11-6-7-13(12(8-11)14(16,17)18)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2.
What are the key properties of N-benzyl-4-bromo-2-(trifluoromethyl)aniline?
N-benzyl-4-bromo-2-(trifluoromethyl)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 N-benzyl-4-bromo-2-(trifluoromethyl)aniline is sourced from PubChem (CID 60792374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).