5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline

C14H10Br2F3N — CID 107286070

IUPAC5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Br)cc1NCc1cccc(Br)c1
InChIInChI=1S/C14H10Br2F3N/c15-10-3-1-2-9(6-10)8-20-13-7-11(16)4-5-12(13)14(17,18)19/h1-7,20H,8H2
InChIKeyZATHCAPABGBQOV-UHFFFAOYSA-N
MW409.04 g/mol
LogP5.84
Rot. Bonds3

About 5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline

5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 107286070) has the molecular formula C14H10Br2F3N and a molecular weight of 409.04 g/mol. Its IUPAC name is 5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
PubChem CID107286070
Molecular FormulaC14H10Br2F3N
Molecular Weight409.04 g/mol
Exact Mass406.91
IUPAC Name5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Br)cc1NCc1cccc(Br)c1
InChIInChI=1S/C14H10Br2F3N/c15-10-3-1-2-9(6-10)8-20-13-7-11(16)4-5-12(13)14(17,18)19/h1-7,20H,8H2
InChIKeyZATHCAPABGBQOV-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.04
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 107286219
N-benzyl-4-bromo-2-(trifluoromethyl)aniline
CID 60792374
2-[[5-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 107286631
3-[[4-bromo-2-(trifluoromethyl)anilino]methyl]benzonitrile
CID 60792859
4-bromo-N-[(4-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 60790630
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
5-bromo-N-[(6-methyl-3-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 107286240
5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
5-bromo-2-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 107286470
4-bromo-N-[(4-ethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 60791438
4-bromo-N-[(4-iodophenyl)methyl]-2-(trifluoromethyl)aniline
CID 65477978
4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 60790628

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline (CID 107286070) is 5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Br)cc1NCc1cccc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is ZATHCAPABGBQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F3N/c15-10-3-1-2-9(6-10)8-20-13-7-11(16)4-5-12(13)14(17,18)19/h1-7,20H,8H2.
What are the key properties of 5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline?
5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 409.04 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).