2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline

C14H10Br2F3NO — CID 107596990

IUPAC2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)(F)Oc1ccc(CNc2c(Br)cccc2Br)cc1
InChIInChI=1S/C14H10Br2F3NO/c15-11-2-1-3-12(16)13(11)20-8-9-4-6-10(7-5-9)21-14(17,18)19/h1-7,20H,8H2
InChIKeyQSLFFEJTPZDWPU-UHFFFAOYSA-N
MW425.04 g/mol
LogP5.72
Rot. Bonds4

About 2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline

2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline (PubChem CID 107596990) has the molecular formula C14H10Br2F3NO and a molecular weight of 425.04 g/mol. Its IUPAC name is 2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
PubChem CID107596990
Molecular FormulaC14H10Br2F3NO
Molecular Weight425.04 g/mol
Exact Mass422.91
IUPAC Name2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)(F)Oc1ccc(CNc2c(Br)cccc2Br)cc1
InChIInChI=1S/C14H10Br2F3NO/c15-11-2-1-3-12(16)13(11)20-8-9-4-6-10(7-5-9)21-14(17,18)19/h1-7,20H,8H2
InChIKeyQSLFFEJTPZDWPU-UHFFFAOYSA-N
XLogP5.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.04
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 107597318
3-bromo-4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 63463129
N-[(3-bromo-4-fluorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 28557600
benzylhydrazine;[4-(trifluoromethoxy)phenyl]methanamine
CID 159253031
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 55464693
8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
CID 177312689
N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine
CID 91213014
2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 107597647
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 103698439
2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107633358

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of 2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline (CID 107596990) is 2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline is FC(F)(F)Oc1ccc(CNc2c(Br)cccc2Br)cc1.
What is the InChIKey of 2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline?
The InChIKey is QSLFFEJTPZDWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F3NO/c15-11-2-1-3-12(16)13(11)20-8-9-4-6-10(7-5-9)21-14(17,18)19/h1-7,20H,8H2.
What are the key properties of 2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline?
2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline has a molecular weight of 425.04 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 107596990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).